UCSF

ZINC08216125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 4 Yes

CAS Numbers: 593-81-7 , 75-22-9 , 75-50-3

Other Names:

(CH3)3N.HCl; Me3N.HCl; N,N-dimethylmethanaminium chloride; Trimethylammonium chloride; trimethylamine monohydrochloride

(CH3)3N; (CH3)3NH; (CH3)3NH+; Dimethylmethaneamine; FEMA No. 3241; FEMA Number 3241; HSDB 808; N,N-dimethyl-Methanamine; N,N-dimethyl-Methanamine (9CI); N,N-dimethyl-Methylamine; N,N-Dimethylmethanamine; N-Trimethylamine; TMA; trimethylamine; Trimethylami

(CH3)3N; 75-50-3; C00565; N,N-Dimethylmethanamine; Trimethylamine

(CH3)3N; AI3-15639; Dimethylmethaneamine; Methanamine, N,N-dimethyl-; N,N-Dimethylmethanamine; N-Trimethylamine; Trimethylamine; Trimethylamine solution; Trimethylamine solution (30% or less); Trimethylamine, anhydrous [UN1083] [Flammable gas]; Trimethyla

(CH3)3NH; (CH3)3NH+; 75-50-3; trimethylamine

AI3-15639; CCRIS 6283; Dimethylmethaneamine; EINECS 200-875-0; FEMA No. 3241; FEMA Number 3241; HSDB 808; LS-1667; Methanamine, N,N-dimethyl-; N,N-Dimethylmethanamine; N-Trimethylamine; TRIMETHYLAMINE; Trimethylamine solution; Trimethylamine solution (30%

Borane-trimethylamine complex, 97%

Boranecarboxylic acid, compd. with trimethylamine (1:1); Boron, carboxydihydro(trimethylammine)-; LS-44978; Trimethylamine-carboxyborane

CHEBI:27125; CHEBI:9732; CHEBI:15261; CHEBI:27127

Dimethylmethaneamine;N,N-Dimethyl-Methanamine;N-Trimethylamine;TMA;Trimethylamine anhydrous;Trimethylamine aqueous solution

EINECS 209-810-0; HSDB 5710; LS-157455; Methanamine, N,N-dimethyl-, hydrochloride; NSC 91484; Trimethylamine monohydrochloride; Trimethylamine, hydrochloride; Trimethylammonium chloride

MFCD00008327

MFCD00012420

MFCD00012478

MFCD03939094

N(CH3)3; N,N,N-trimethylamine; NMe3; TMA; Trimethylamin; tridimethylaminomethane

Trimethyl amine

trimethylamine hydrochloride

Trimethylamine hydrochloride, 98%

Trimethylamine, 1M soln. in THF

Trimethylamine, 33% w/w in ethanol

Trimethylamine, 45% w/w aq. soln.

Trimethylamine, pure, 4.2M (33 wt.%) solution in ethanol

trimethylamine; trimethylammonium cation; trimethylazanium; trimethylazanium cation

trimethylammonium

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.34 1.83 -30.19 1 1 1 4 60.12 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 2? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 172 Acros Organics
Mp [°C] 283 - 284 Acros Organics
Boiling_Point 30? Alfa-Aesar
Boiling_Point 30° Alfa-Aesar
BP [°C] 50 Acros Organics
Mp [°C] 92 - 96 Acros Organics
Melting_Point ca 280? dec. Alfa-Aesar
Melting_Point ca 280° dec. Alfa-Aesar
UniProt Database Links DHTM_METME; DSTOR_RHOCA; DSTOR_RHOSH; ETFA_METME; ETFB_METME; FMO2_MOUSE; FMO3_BOVIN; FMO3_CANFA; FMO3_HUMAN; FMO3_MACMU; FMO3_MOUSE; FMO3_PANTR; FMO3_RABIT; FMO3_RAT; FRDA_SHEFN; FRDA_SHEFR; FRDA_SHEON; GRDA1_EUBAC; GRDA1_PHOPR; GRDA2_EUBAC; GRDA2_PHOPR ChEBI
Patent Database Links EP0924206; EP0949250; EP1072600; EP1099714; EP1149836; EP1201652; EP1273583; EP1279667; EP1318148; EP1359147; EP1422230; EP1518856; EP1541582; EP1600496; EP1707200; EP1780207; EP1806337; EP1832285; EP1845088; EP1911752; EP1985309; EP1997812; GB2297749; US ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H228: Flammable solid Acros Organics
H phrase H228: Flammable solid; H319: Causes serious eye irritation Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H302: Harmful if swallowed; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P308 + P313: IF exposed or concerned: Get medical advice/attention; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. Acros Organics
R phrase R11: Highly flammable.; R36: Irritating to eyes. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_236 ChEBI
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
S phrase S3: Keep in a cool place. Acros Organics
S phrase S3: Keep in a cool place.; S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S36/37/39: Wear suitable protective cloth Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
FMO oxidizes nucleophiles

Analogs ( Draw Identity 99% 90% 80% 70% )