(2S,3S)-2-Amino-1,3-butanediol
Properties
- Molecular formula
- C4H11NO2
- Molar mass
- 105.14 g/mol
- Exact mass
- 105.0790 Da
- logP
- -1.31Crippen estimate
- Polar surface area
- 66.5 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
- Stereocentres
- S, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
44520-55-0SMILES
C[C@H](O)[C@@H](N)COInChIKey
MUVQIIBPDFTEKM-IMJSIDKUSA-NInChI
InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,3-Butanediol, 2-amino-, (2S,3S)-
- 1,3-Butanediol, 2-amino-, [S-(R*,R*)]-
- D-Threoninol
- (2S,3S)-2-Aminobutane-1,3-diol
Work with (2S,3S)-2-Amino-1,3-butanediol
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.
Similar compounds
Valinol16369-05-457 % similar
(+)-Valinol2026-48-457 % similar
D-Valinol4276-09-957 % similar
(±)-Valinol473-75-657 % similar
(2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-248 % similar
(2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride133736-94-443 % similar
L-Alaninol2749-11-342 % similar
(R)-(-)-2-Amino-1-propanol35320-23-142 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds