2,4,4-Trimethyl-2-pentanamine

C₈H₁₉NCAS 107-45-9129.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₉N
Molar mass: 129.25 g/mol
Exact mass: 129.1517 Da
Melting point: 177–180 °C
Boiling point: 138 °C
logP: 2.16Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor92.5% of notifiers
H290 May be corrosive to metals68.4% of notifiers
H301 Toxic if swallowed23% of notifiers
H302 Harmful if swallowed77% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage67.8% of notifiers
H411 Toxic to aquatic life with long lasting effects69% of notifiers

Aggregated from 174 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P390, P391, P403+P235, P405, P406, P501

Identifiers

CAS number

107-45-9

SMILES

CC(C)(C)CC(C)(C)N

InChIKey

QIJIUJYANDSEKG-UHFFFAOYSA-N

InChI

InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3

Weigh it out

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

Names and synonyms

10 names

2-Pentanamine, 2,4,4-trimethyl-
Butylamine, 1,1,3,3-tetramethyl-
1,1,3,3-Tetramethylbutylamine
tert-Octylamine
2,4,4-Trimethyl-2-pentylamine
1,1,3,3-Tetramethylbutanamine
2-Amino-2,4,4-trimethylpentane
Primene TOA
tert-Octanamine
NSC 33852

Work with 2,4,4-Trimethyl-2-pentanamine

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

Similar compounds

2,2,4,4-Tetramethylpentane1070-87-750 % similar tert-Amylamine594-39-845 % similar 2-Methylpropylenediamine811-93-845 % similar Aminomethyl propanol124-68-543 % similar tert-OCTYL MERCAPTAN31511-35-036 % similar 1,6-Hexanediamine, N1,N6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with 2,4,4-trimethyl-2-pentanamine70624-18-936 % similar Poly[[6-[(1,1,3,3-tetramethylbutyl)amino]-1,3,5-triazine-2,4-diyl][(2,2,6,6-tetramethyl-4-piperidyl)imino]hexamethylene[(2,2,6,6-tetramethyl-4-piperidyl)imino]]71878-19-836 % similar Neopentylamine5813-64-935 % similar

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

Same formula

2-Ethylhexylamine104-75-6 Diisobutylamine110-96-3 Octylamine111-86-4 Dibutylamine111-92-2 N,N-Dimethylhexylamine4385-04-0 (±)-1,5-Dimethylhexylamine543-82-8 N-(1-Methylpropyl)-2-butanamine626-23-3 (±)-2-Octanamine693-16-3

Elsewhere

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