1-Amino-3-phenylpropan-2-ol

C9H13NOCAS 50411-26-2151.21 g/mol

Open in Covalent MOL file
NH2OH
AlcoholPrimary amine

Properties

Molecular formula
C9H13NO
Molar mass
151.21 g/mol
Exact mass
151.0997 Da
logP
0.55Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
50411-26-2
SMILES
C1=CC=C(C=C1)CC(CN)O
InChIKey
JIIXMZQZEAAIJX-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2

Weigh it out

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Names and synonyms

1 names
  • 1-Amino-3-phenyl-propan-2-ol

Work with 1-Amino-3-phenylpropan-2-ol

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

Similar compounds

(2S)-2-Methyl-3-phenylpropan-1-amine89999-55-353 % similar 1-Phenyl-2-propanol14898-87-447 % similar (S)-1-Phenyl-2-propanol1517-68-647 % similar (R)-1-Phenyl-2-propanol1572-95-847 % similar (-)-Phenylethanolamine2549-14-647 % similar Amphetamine300-62-947 % similar D-Amphetamine51-64-947 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-147 % 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 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0

Elsewhere

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