D-Phenylalaninol

C₉H₁₃NOCAS 5267-64-1151.21 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
Melting point: 91.5 °C
logP: 0.55Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage98.1% of notifiers

Aggregated from 52 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

5267-64-1

SMILES

N[C@@H](CO)Cc1ccccc1

InChIKey

STVVMTBJNDTZBF-SECBINFHSA-N

InChI

InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all

Phenylalaninol, (R)-
Benzenepropanol, β-amino-, (βR)-
1-Propanol, 2-amino-3-phenyl-, (R)-(+)-
Benzenepropanol, β-amino-, (R)-
(βR)-β-Aminobenzenepropanol
(+)-2-Amino-3-phenylpropanol
(R)-Phenylalaninol
(R)-2-Amino-3-phenylpropanol
(R)-(+)-2-Amino-3-phenyl-1-propanol
(R)-(+)-Phenylalaninol
(R)-Benzylglycinol
(R)-(+)-2-Amino-3-phenyl-1-glycinol
(R)-2-Amino-3-phenyl-1-propanol
(R)-(+)-2-Amino-3-phenylpropanol
(R)-1-(Hydroxymethyl)-2-phenylethylamine
(2R)-3-Phenyl-2-amino-1-propanol
(R)-3-Phenyl-2-amino-1-propanol
((1R)-1-Hydroxymethyl-2-phenylethyl)amine
(2R)-2-Amino-3-phenylpropan-1-ol
(R)-2-Amino-3-phenylpropan-1-ol
(2R)-2-Amino-3-phenylpropanol

Work with D-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 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-Phenylalaninol3182-95-4Enantiomer Phenylalaninol16088-07-6Stereo not defined

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook