UCSF

ZINC00393338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 2-(Methylamino)-1-phenylethanol 2-(Methylamino)-1-phenylethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6589-55-5 , 68579-60-2 , [6589-55-5]

Other Names:

(+-)-alpha-((Methylamino)methyl)benzenemethanol;(+-)-Halostachine;2-(Methylamino)-1-phenylethanol;2-Methylamino-1-phenylethanol;alpha-((Methylamino)methyl)-dl-Benzyl alcohol;alpha-(Methylaminomethyl)benzyl alcohol;Dl-alpha-(Methylaminomethyl)benzyl alcoho

(+-)-Halostachine; (+-)-alpha-((Methylamino)methyl)benzenemethanol; 2-(methylamino)-1-phenylethanol; Benzenemethanol, alpha-((methylamino)methyl)-, (+-)-; Benzyl alcohol, alpha-((methylamino)methyl)-, dl-; Halostachine; N-Methylphenylethanolamine; alpha-(

(+-)-Halostachine; (+-)-alpha-((Methylamino)methyl)benzenemethanol; Benzyl alcohol, alpha-((methylamino)methyl)-, dl-

(+-)-Halostachine; (+-)-alpha-((Methylamino)methyl)benzenemethanol; BRN 1072841; Benzenemethanol, alpha-((methylamino)methyl)-, (+-)-; Benzyl alcohol, alpha-((methylamino)methyl)-, dl-; LS-30785; dl-1-Phenyl-1-oxy-2-(methylamino)-aethan [German]

(2-hydroxy-2-phenylethyl)(methyl)azanium; N-methylphenylethanolamine; N-methylphenylethanolaminium cation; N-methylphenylethanolaminium(1+)

1-Phenyl-2-methylaminoethanol hydrochloride; Benzenemethanol, alpha-((methylamino)methyl)-, hydrochloride; Benzyl alcohol, alpha-((methylamino)methyl)-, hydrochloride; Benzyl alcohol, alpha-methylaminomethyl-, hydrochloride; LS-43091; NSC 23619; alpha-Met

2-Methylamino-1-phenylethanol

68579-60-2; C03711; N-Methylphenylethanolamine; alpha-[(Methylamino)methyl]-benzyl alcohol

68579-60-2; N-methylphenylethanolamine

CHEBI:12523; CHEBI:21770; CHEBI:7322

DL-alpha-(Methylaminomethyl)benzyl alcohol

DL-alpha-(Methylaminomethyl)benzyl alcohol, 99%

Halostachine

Halostachine, hydrochloride, (+-)-; LS-74047; Phenyl(methylaminomethyl)carbinol, hydrochloride; Phenyl-beta-hydroxy-ethyl-methylamine, hydrochloride; Phenylethanolmethylamine, hydrochloride; l-1-Hydroxy-1-phenyl-2-methylaminoethane, hydrochloride; l-alpha

MFCD00004506

MFCD00012625

N-Methylphenylethanolamine

N-methylphenylethanolaminium

Download: MOL2 SDF SMILES Flexibase

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) 0.91 2.14 -39.37 3 2 1 37 152.217 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 73-76? Alfa-Aesar
Melting_Point 73-76° Alfa-Aesar
Mp [°C] 74 - 76 Acros Organics
Purity 97 Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/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 r Acros Organics
UniProt Database Links PNMT_BOVIN; PNMT_HUMAN; PNMT_MOUSE; PNMT_PIG; PNMT_RAT ChEBI
R phrase R34: Causes burns. 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

Activity (Go SEA)

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