UCSF

ZINC06096244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 8 Yes

Popular Name: Benzylamine Benzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-46-9 , 103-55-9 , 3287-99-8 , 696-99-1 , 89551-24-6

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) 1.12 2.53 -42.69 3 1 1 28 108.164 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 Acros Organics
Melting_Point 43? Alfa-Aesar
Melting_Point 43° Alfa-Aesar
BP [°C] 182 - 185 Acros Organics
BP 184 TCI
Boiling_Point 184-185? Alfa-Aesar
Boiling_Point 184-185° Alfa-Aesar
Melting_Point 262-263? Alfa-Aesar
Melting_Point 262-263° Alfa-Aesar
ALOGPS_SOLUBILITY 9.71e+00 g/l DrugBank-experimental
Purity 95% Fluorochem
UniProt Database Links AMOH_ARTGO; AOC2_HUMAN; AOFB_BOVIN; AOFB_CANFA; AOFB_CAVPO; AOFB_HUMAN; AOFB_MOUSE; AOFB_PIG; AOFB_PONAB; AOFB_RAT; NFDA_ARTPS ChEBI
Hazard C: Corrosive Acros Organics
Patent Database Links EP0812824; EP0999209; EP1010731; EP1090907; EP1184380; EP1227094; EP1229029; EP1422218; EP1475094; EP1498406; EP1533300; EP1637132; EP1650189; EP1669079; EP1752460; EP1754705; EP1798230; EP1849770; EP1857443; EP1859798; EP1911433; EP1978015; US2002155065 ChEBI
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat 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
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.