Phenylalaninol

C9H13NOCAS 16088-07-6151.21 g/mol

Open in Covalent MOL file
H2NHO
AlcoholPrimary amine

Properties

Molecular formula
C9H13NO
Molar mass
151.21 g/mol
Exact mass
151.0997 Da
Melting point
128 °C
Boiling point
150–160 °C
logP
0.55Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
16088-07-6
SMILES
NC(CO)Cc1ccccc1
InChIKey
STVVMTBJNDTZBF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Benzenepropanol, β-amino-
  • 1-Propanol, 2-amino-3-phenyl-
  • β-Aminobenzenepropanol
  • 3-Phenyl-2-aminopropanol
  • 2-Amino-3-phenyl-1-propanol
  • 2-Amino-1-hydroxy-3-phenylpropane
  • (±)-Phenylalaninol
  • (±)-2-Amino-3-phenylpropanol
  • (±)-2-Amino-3-phenyl-1-propanol
  • (RS)-2-Amino-3-phenylpropanol
  • DL-Phenylalaninol
  • (RS)-2-Amino-3-phenyl-1-propanol
  • NSC 20899
  • 2-Amino-3-phenylpropan-1-ol
  • 2-Amino-3-phenylpropanol
  • 2-Amino-3-phenyl-1-propanediol

Work with Phenylalaninol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Phenylalaninol3182-95-4Defined stereoisomer D-Phenylalaninol5267-64-1Defined stereoisomer

Similar compounds

D-Tyrosinol hydrochloride40829-04-759 % similar 4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride87745-27-559 % similar (R,R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride1247119-31-859 % similar β-Aminobenzenebutanoic acid15099-85-155 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-250 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-450 % similar L-Tryptophanol2899-29-849 % similar D-Tryptophanol52485-52-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6

Elsewhere

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