N-Methylhexylamine

HCID 37079CAS 35161-70-7

기본 정보

표준 SMILES: CCCCCCNC
InChIKey: XJINZNWPEQMMBV-UHFFFAOYSA-N
분자식: C7H17N
평균 분자량: 115.22 g/mol
단동위원소 질량: 115.13609954

이름 및 식별자

우선 이름: N-Methylhexylamine
IUPAC: N-methylhexan-1-amine
영어명: N-Methylhexylamine
분자식: C7H17N
분자량: 115.22

이름 및 동의어

N-Methylhexylamine35161-70-7Hexylmethylamine1-Hexanamine, N-methyl-HEXYLAMINE, N-METHYL-Hexanamine, N-methyl-L24KKS9ZHCBRN 1731685EINECS 252-410-6n-Hexyl-N-methylamine4-04-00-00710 (Beilstein Handbook Reference)N-METHYL-1-AMINOHEXANE

이름 더 보기

MHAn-methyl-hexylaminn-methyl-hexanaminMethyl-n-hexylaminehexylamine,N-methyl-

DTXSID80188658RefChem:830721DTXCID40111149252-410-6N-methylhexan-1-aminen-Hexylmethylaminehexyl(methyl)amineN-n-Hexylmethylamine

데이터베이스 식별자

CAS: 35161-70-7
PubChem CID: 37079
DTXSID: DTXSID80188658
UNII: L24KKS9ZHC
EC Number: 252-410-6
Nikkaji: J40.628G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 35.4

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -38 °C · -38°C
끓는 점: 140 · 140-142 °C (lit.)
밀도: 0.76 g/mL · 0.76 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.416(lit.)
인화점: 73 °F · 73 °F
저장 조건: 2 · 2-8°C, protect from light
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 10.93 · 10.93±0.10(Predicted)
색상: 무색
BRN: 1731685 · 1731685
Henry's Law Constant: 8.3 · 8.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
안정성: 휘발성 물질
InChI: 1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChIKey: XJINZNWPEQMMBV-UHFFFAOYSA-N
SMILES: CCCCCCNC

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
rtecs: MQ5400000
ridadr: UN 2734 8/PG 2
risk_code: 10-22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 3.1
기존화학 물질: KE-24269
F 고인화성물질: 10
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도N-Hexylmethylamine may be used in the synthesis of dialkyldithiocarbamato cadmium complexes Cd[S2CNRR′]2.

일반 설명N-Hexylmethylamine is an acyclic secondary amine. Ruthenium-catalyzed reaction of N-hexylmethylamine with styrene has been reported. Transition metal-catalyzed intermolecular hydroamination of N-hexylmethylamine with 2-vinylnaphthalene has been reported.