chempirical

4-Amino-2-methyl-1-butanol

C5H13NOCAS 44565-27-7103.16 g/mol

Open in Covalent MOL file
NH2HO
AlcoholPrimary amine

Properties

Molecular formula
C5H13NO
Molar mass
103.16 g/mol
Exact mass
103.0997 Da
logP
-0.04Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

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
44565-27-7
SMILES
CC(CCN)CO
InChIKey
DUAXLVGFFDFSAG-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-5(4-7)2-3-6/h5,7H,2-4,6H2,1H3

Weigh it out

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

Work with 4-Amino-2-methyl-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

(2R)-2-Methyl-1,4-butanediol22644-28-657 % similar (S)-2-Methyl-1,4-butanediol70423-38-057 % similar 2-Methyl-1,3-propanediol2163-42-055 % similar 2-Methyl-1-pentanol105-30-654 % similar 2-Methyl-1-butanol137-32-646 % similar (S)-2-Methyl-1-butanol1565-80-646 % similar 2-Methyl-1-butanol34713-94-546 % similar 3-Bromo-2-methylpropan-1-ol40145-08-244 % similar

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

Same formula

Dimethylaminoisopropanol108-16-7 2-Isopropylaminoethanol109-56-8 Valinol16369-05-4 (+)-Valinol2026-48-4 5-Amino-1-pentanol2508-29-4 3-Amino-2,2-dimethyl-1-propanol26734-09-8 3-(Dimethylamino)-1-propanol3179-63-3 D-Valinol4276-09-9

Elsewhere

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