tert-Octylamine

CAT: 0572-TRC-O270820-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-O270820-1GSize:1 g

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CAS Number

107-45-9

Synonyms

2-Pentanamine, 2,4,4-trimethyl-; Butylamine, 1,1,3,3-tetramethyl- (6CI,7CI,8CI); 2,4,4-Trimethyl-2-pentanamine; 1,1,3,3-Tetramethylbutanamine; 1,1,3,3-Tetramethylbutylamine; 2,4,4-Trimethyl-2-pentylamine; 2-Amino-2,4,4-trimethylpentane; NSC 33852; Primene TOA; tert-Octanamine; tert-Octylamine; 2,4,4-Trimethylpentan-2-amine

Hazard Statement

Flammable liquid and vapour; UN number: UN2734; Packing Group: II

Smiles

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

Molecular Formula

C8 H19 N

Molecular Weight

129.24

InChI

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

Additionnal Information

IUPAC name: 2,4,4-trimethylpentan-2-amine

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

tert-Octylamine

2,4,4-trimethyl-2-Pentanamine is an alkylamine.

CAS Number	107-45-9
PubChem CID	61017
IUPAC Name	2,4,4-trimethylpentan-2-amine
Molecular Formula	C8H19N
Molecular Weight	129.24
XLogP	2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

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

InChI

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

InChIKey

QIJIUJYANDSEKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-45-9

CID: 61017

Formula: C8H19N

MW: 129.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	129.24
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	129.151749610
Monoisotopic Mass	129.151749610
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-251145	Tert-Octylamine
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515001	N‐OCTYLAMINE
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tert-Octylamine

Chemical Information

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