2-Amino-1-butanol

C₄H₁₁NOCAS 13054-87-089.14 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₄H₁₁NO
Molar mass: 89.14 g/mol
Exact mass: 89.0841 Da
Density: 0.9443 g/mL (at 26 °C)
Melting point: −2 °C
Boiling point: 178 °C
logP: -0.28Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed98.2% of notifiers
H314 Causes severe skin burns and eye damage89.2% of notifiers
H318 Causes serious eye damage69.3% of notifiers
H400 Very toxic to aquatic life87.7% of notifiers
H411 Toxic to aquatic life with long lasting effects42.6% of notifiers

Aggregated from 277 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

13054-87-0

SMILES

CCC(N)CO

InChIKey

JCBPETKZIGVZRE-UHFFFAOYSA-N

InChI

InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

1-Butanol, 2-amino-
1-(Hydroxymethyl)propylamine
1-Hydroxy-2-butylamine
2-Amino-1-hydroxybutane
2-Aminobutyl alcohol
1-Hydroxy-sec-butylamine
1-Hydroxy-2-aminobutane
DL-α-Aminobutanol
DL-2-Aminobutanol
Dl-2-Amino-1-butanol
(±)-2-Amino-1-butanol
(RS)-2-Amino-1-butanol
NSC 1068
1-Hydroxybutan-2-amine

Work with 2-Amino-1-butanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(+)-2-Amino-1-butanol5856-62-2Defined stereoisomer (R)-2-Amino-1-butanol5856-63-3Defined stereoisomer 2-Amino-1-butanol96-20-8

Similar compounds

Serinol534-03-261 % similar 3-Aminopentane616-24-061 % similar 2-Amino-1,3-propanediol hydrochloride73708-65-352 % similar D-Leucinol53448-09-250 % similar L-Leucinol7533-40-650 % similar 2-Ethyl-1-butanol97-95-048 % similar (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-246 % similar Dl-methioninol16720-80-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Dimethylamino)ethanol108-01-0 2-(Ethylamino)ethanol110-73-6 Ethoxyethylamine110-76-9 Aminomethyl propanol124-68-5 4-Amino-1-butanol13325-10-5 1-Amino-2-butanol13552-21-1 1-Amino-2-methyl-2-propanol2854-16-2 Diethylhydroxylamine3710-84-7

Elsewhere

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