2-Aminoheptane

HCID 5603CAS 123-82-0

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Basic information

Standard SMILES: CCCCCC(C)N
InChIKey: VSRBKQFNFZQRBM-UHFFFAOYSA-N
Molecular formula: C7H17N
Average molar mass: 115.22 g/mol
Monoisotopic mass: 115.13609954

Overview

Tuaminoheptane is an alkylamine.

Names & identifiers

Preferred name: 2-Aminoheptane
IUPAC: heptan-2-amine
English name: 2-AMINOHEPTANE
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

tuaminoheptane2-AMINOHEPTANE123-82-02-Heptylamineheptan-2-amine1-MethylhexylamineTuamineHeptedrineTuaminoheptanoTuaminoheptanumNSC-1091Z0420GYD84

Show more names

2-methylhexan-1-amine1-Hexanamine, 2-methyl-

DTXSID6048468tuaminoeptanoRefChem:900701tuamine sulfate (2:1)DTXCID6028442R01AA11R01AB08204-655-5

Database identifiers

CAS: 123-82-0、44652-67-7
PubChem CID: 5603
DTXSID: DTXSID6048468
ChEMBL: CHEMBL123693
ChEBI: CHEBI:134753
UNII: Z0420GYD84
EC Number: 204-655-5
Nikkaji: J5.544A

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 43.7

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

LogP2.4

Human DrugsPharmaceuticals

Collision Cross Section125.01 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Boiling point: 49 · 49-54 °C(Press: 15 Torr)
Density: 0.773 g/cm3 · 0.773 g/cm3(Temp: 27 °C)
pka: 10.75 · 10.75±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.