(-)-1-Amino-3-chloro-2-propanol hydrochloride

C₃H₉Cl₂NOCAS 34839-13-9146.01 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Primary amine

Properties

Molecular formula: C₃H₉Cl₂NO
Molar mass: 146.01 g/mol
Exact mass: 145.0061 Da
logP: -0.03Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

34839-13-9

SMILES

Cl.NC[C@H](O)CCl

InChIKey

ZCPJBHYNOFIAPJ-AENDTGMFSA-N

InChI

InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H/t3-;/m1./s1

Weigh it out

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

Names and synonyms

7 names

1-Amino-3-chloro-2-propanol hydrochloride, (S)-
2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1), (2S)-
2-Propanol, 1-amino-3-chloro-, hydrochloride, (S)-
2-Propanol, 1-amino-3-chloro-, hydrochloride, (2S)-
CL 88236
(2S)-1-Amino-3-chloro-2-propanol hydrochloride
(S)-1-Amino-3-chloro-2-propanol hydrochloride

Work with (-)-1-Amino-3-chloro-2-propanol hydrochloride

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

1,3-Diamino-2-propanol616-29-552 % similar 1,3-Dichloropropan-2-ol96-23-152 % similar (2R)-3-Chloro-1,2-propanediol57090-45-644 % similar (+)-3-Chloro-1,2-propanediol60827-45-444 % similar (S)-3-Amino-1,2-propanediol61278-21-544 % similar 3-Amino-1,2-propanediol616-30-844 % similar (2R)-3-Aminopropane-1,2-diol66211-46-944 % similar 3-Mcpd96-24-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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