2-메틸사이클로헥실아민

2-Methylcyclohexylamine

HCID 23432CAS 7003-32-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCCCC1N
InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N
분자식: C7H15N
평균 분자량: 113.2 g/mol
단동위원소 질량: 113.12044948

이름 및 식별자

우선 이름: 2-Methylcyclohexylamine
IUPAC: 2-methylcyclohexan-1-amine
현지명: 2-메틸사이클로헥실아민
영어명: 2-Methylcyclohexylamine
분자식: C7H15N
분자량: 113.2

이름 및 동의어

2-METHYLCYCLOHEXYLAMINE7003-32-9Cyclohexanamine, 2-methyl-2-Methylcyclohexanamineo-MethylcyclohexylamineCyclohexylamine, 2-methyl-UNII-YBG36S1N5J2-Methylcyclohexylamine,c&t1-Amino-2-methylcyclohexaneEINECS 230-277-5NSC 27455YBG36S1N5J

이름 더 보기

2-메틸사이클로헥실아민2-MCHAAKOS BB-88212-MethylcyclohexylamHEXAHYDRO-O-TOLUIDINE2-methyl-cyclohexanamin

DTXSID20884349NSC-27455RefChem:88296DTXCID20835235230-277-5FEUISMYEFPANSS-UHFFFAOYSA-N2-methylcyclohexan-1-amineMFCD00001492

데이터베이스 식별자

CAS: 7003-32-9
PubChem CID: 23432
DTXSID: DTXSID20884349
EC Number: 230-277-5
Nikkaji: J86.568K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 70.8

물리화학적 성질

녹는점: -8.5 °C · -8.5°C (estimate)
끓는 점: 149 · 149-150 °C(lit.)
밀도: 0.859 g/mL · 0.859 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.457
인화점: 71 °F · 71 °F
저장 조건: Flammables area
산도 계수 (pKa): 10.72 · 10.72±0.70(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 약간 용해됨
BRN: 2689073 · 2689073
InChI: 1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N
SMILES: CC1CCCCC1N
NIST: 2 · 2-Methylcyclohexylamine(7003-32-9)
EPA: 2 · Cyclohexanamine, 2-methyl- (7003-32-9)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (96.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (96.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
HS 번호: 29213000
risk_code: 10-34-37-35-20/21/22-11-22
hazard_code: C,F
safety_code: 16-26-36/37/39-45-28A
포장분류: II
위험 등급: 8
기존화학 물질: KE-23716
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanamine, 2-methyl-: ACTIVE

응용 분야

용도2-Methylcyclohexylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

일반 설명Mechanism of hydrodenitrogenation of 2-methylcyclohexylamine has been studied over sulfided NiMo/Al2O3. 2-Methylcyclohexylamine is the intermediate formed during hydrodenitrogenation of toluidine.