5-Amino-2,2-dimethylpentanol

C₇H₁₇NOCAS 13532-77-9131.22 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₇H₁₇NO
Molar mass: 131.22 g/mol
Exact mass: 131.1310 Da
logP: 0.74Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

13532-77-9

SMILES

CC(C)(CCCN)CO

InChIKey

ZOOPONUAQQEUQX-UHFFFAOYSA-N

InChI

InChI=1S/C7H17NO/c1-7(2,6-9)4-3-5-8/h9H,3-6,8H2,1-2H3

Weigh it out

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

Work with 5-Amino-2,2-dimethylpentanol

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-Amino-2,2-dimethyl-1-propanol26734-09-852 % similar Neopentyl glycol126-30-750 % similar 3-Chloro-2,2-dimethylpropanol13401-56-441 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-641 % similar 1,1-Dimethylcyclohexane590-66-938 % similar 3-Amino-1-propanol156-87-636 % similar 1-Methylcyclopropanemethanol2746-14-736 % similar 4-Amino-1-butanol13325-10-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Butoxy-1-propanamine16499-88-0 4-(Isopropylamino)butanol42042-71-7 1-(Diethylamino)-2-propanol4402-32-8 3-(Diethylamino)-1-propanol622-93-5

Elsewhere

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