2-Aminoheptane

2-methylhexan-1-amine · 1-Hexanamine, 2-methyl-

식별자 및 물리적 특성

CAS No.	123-82-0
분자식	C7H17N
평균 분자량	115.22 g/mol
단동위원소 질량	115.13609954 g/mol
SMILES	CCCCCC(C)N
InChIKey	VSRBKQFNFZQRBM-UHFFFAOYSA-N
PubChem CID	5603
ChEMBL	CHEMBL123693
ChEBI	CHEBI:134753
EC No.	204-655-5
DTXSID	DTXSID6048468

화학 및 물리적 성질

XLogP	2.4
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	8
형식 전하	0
복잡도	43.7
SpringerMaterials Properties	Density
LogP(분배 계수)	2.4
Human Drugs	Pharmaceuticals
Collision Cross Section	125.01 Å² [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
끓는 점	49-54 °C(Press: 15 Torr)
밀도	0.773 g/cm3(Temp: 27 °C)
pKa(산도 계수)	10.75±0.10(Predicted)

안전 및 규제

GHS 분류	DangerH226 (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.
Hazard Classes and Categories	Flam. Liq. 3 (100%)

GHS 분류

DangerH226 (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.

Hazard Classes and Categories

Flam. Liq. 3 (100%)