(3R)-3-Amino-1-butanol

C₄H₁₁NOCAS 61477-40-589.14 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
logP: -0.28Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61477-40-5

SMILES

C[C@@H](N)CCO

InChIKey

AGMZSYQMSHMXLT-SCSAIBSYSA-N

InChI

InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1

Weigh it out

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

Names and synonyms

4 names

1-Butanol, 3-amino-, (3R)-
1-Butanol, 3-amino-, (R)-
(R)-3-Aminobutan-1-ol
(R)-3-Aminobutanol

Work with (3R)-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Alaninol2749-11-352 % similar (R)-(-)-2-Amino-1-propanol35320-23-152 % similar Alaninol6168-72-552 % similar 1,4-Dimethylpentylamine28292-43-550 % similar 2-Pentanamine63493-28-750 % similar 2-[(4-Aminopentyl)ethylamino]ethanol69559-11-148 % similar Isoamyl alcohol123-51-348 % similar 3-Methyl-1,5-pentanediol4457-71-048 % 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 2-Amino-1-butanol13054-87-0 4-Amino-1-butanol13325-10-5 1-Amino-2-butanol13552-21-1 1-Amino-2-methyl-2-propanol2854-16-2

Elsewhere

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