(S)-3-(tert-Butylamino)propane-1,2-diol

C₇H₁₇NO₂CAS 30315-46-9147.22 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₇H₁₇NO₂
Molar mass: 147.22 g/mol
Exact mass: 147.1259 Da
Melting point: 83.5–85 °C
logP: -0.27Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 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

30315-46-9

SMILES

CC(C)(C)NC[C@H](O)CO

InChIKey

JWBMVCAZXJMSOX-LURJTMIESA-N

InChI

InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

7 names

(2S)-3-[(1,1-Dimethylethyl)amino]-1,2-propanediol
1,2-Propanediol, 3-[(1,1-dimethylethyl)amino]-, (2S)-
1,2-Propanediol, 3-(tert-butylamino)-, (S)-(-)-
1,2-Propanediol, 3-[(1,1-dimethylethyl)amino]-, (S)-
(S)-3-(tert-Butylamino)-1,2-propanediol
(S)-1-tert-Butylamino-2,3-propanediol
(2S)-3-(tert-Butylamino)propane-1,2-diol

Work with (S)-3-(tert-Butylamino)propane-1,2-diol

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

3-(Methylamino)propane-1,2-diol40137-22-252 % similar Polyglycerol25618-55-743 % similar Glycerol56-81-543 % similar 1,2-Butanediol26171-83-541 % similar (2R)-1,2-Butanediol40348-66-141 % similar 1,2-Butanediol584-03-241 % similar (S)-Butane-1,2-diol73522-17-541 % similar 2-(tert-Butylamino)ethanol4620-70-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethylformamide diethylacetal1188-33-6 1-Amino-3,3-diethoxypropane41365-75-7 3-(Diethylamino)-1,2-propanediol621-56-7

Elsewhere

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