3-Amino-2,2-dimethyl-1-propanol

C₅H₁₃NOCAS 26734-09-8103.16 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₅H₁₃NO
Molar mass: 103.16 g/mol
Exact mass: 103.0997 Da
Melting point: 98–100 °C
Boiling point: 95–105 °C (at 35 Torr)
logP: -0.04Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage28.6% of notifiers
H315 Causes skin irritation71.4% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

26734-09-8

SMILES

CC(C)(CN)CO

InChIKey

FNVOFDGAASRDQY-UHFFFAOYSA-N

InChI

InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

1-Propanol, 3-amino-2,2-dimethyl-
2,2-Dimethyl-3-aminopropanol
Neopentanolamine
3-Hydroxy-2,2-dimethylpropylamine
3-Amino-2,2-dimethylpropanol
2,2-Dimethyl-3-amino-1-propanol
1-Amino-2,2-dimethyl-3-propanol
2,2-Dimethyl-3-hydroxypropanamine
2,2-Dimethyl-3-hydroxypropylamine
3-Hydroxy-2,2-dimethylpropanamine

Work with 3-Amino-2,2-dimethyl-1-propanol

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

Neopentyl glycol126-30-761 % similar 2,2-Dimethyl-1,3-propanediamine7328-91-861 % similar 5-Amino-2,2-dimethylpentanol13532-77-952 % similar 3-Chloro-2,2-dimethylpropanol13401-56-448 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-648 % similar Trimethylolethane77-85-040 % similar 2-Amino-2-methyl-1,3-propanediol115-69-539 % similar Aminomethyl propanol124-68-539 % 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-(Dimethylamino)-1-propanol3179-63-3 D-Valinol4276-09-9 4-Amino-2-methyl-1-butanol44565-27-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook