(1-사이클로헥실에틸)아민

1-Cyclohexylethylamine

HCID 110733CAS 17430-98-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(N)C1CCCCC1
InChIKey: XBWOPGDJMAJJDG-UHFFFAOYSA-N
분자식: C8H17N
평균 분자량: 127.23 g/mol
단동위원소 질량: 127.13609954

이름 및 식별자

우선 이름: 1-Cyclohexylethylamine
IUPAC: 1-cyclohexylethanamine
현지명: 시클로헥실에틸아민
영어명: (S)-(+)-1-Cyclohexylethylamine
분자식: C8H17N
분자량: 127.23

이름 및 동의어

1-Cyclohexylethylamine4352-49-21-(Cyclohexyl)ethylamineCyclohexanemethanamine, alpha-methyl-RefChem:4317321-Cyclohexylethanamine54423-01-7(1-cyclohexylethyl)amine1-cyclohexylethan-1-amineMFCD078095351-Cyclohexyl-1-ethanamineXBWOPGDJMAJJDG-UHFFFAOYSA-N

이름 더 보기

(S)-(+)-1-사이클로헥실에틸아민시클로헥실에틸아민(S)-1-CYCLOHEXYLETHYLAMINE(S)-1-Cyclohexylethanamine(1S)-1-Cyclohexylethanamine(S)-(+)-1-CYCLOHEXYETHYLAMINE(S)-(+)-1-CYCLOHEXYLETHYLAMINE(1S)-1-cyclohexylethan-1-amine(S)-(+)-1-AMINOETHYLCYCLOHEXANE(S)-(+)-1-CYCLOHEXYLETHYLAMINE 98%(S)-α-Methylcyclohexanemethanamine

DTXSID901371201(R)-(?)-|A-MethylcyclohexanemethylamineCyclohexanemethanamine, .alpha.-methyl-, (R)-amino-1-cyclohexylethane(1-Aminoethyl)cyclohexane1-Cyclohexyl-1-ethylamine1-amino-1-cyclohexylethaneSCHEMBL79026

데이터베이스 식별자

CAS: 17430-98-7、4352-49-2、54423-01-7、5913-13-3
PubChem CID: 110733
DTXSID: DTXSID901371201
EC Number: 807-762-0
Nikkaji: J346.817H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.6

물리화학적 성질

녹는점: -15 °C · -15°C (estimate)
끓는 점: 60 °C/12 · 60 °C/12 mmHg (lit.)
밀도: 0.856 g/mL · 0.856 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4614(lit.)
인화점: 126 °F · 126 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 10.89 · 10.89±0.29(Predicted)
BRN: 2935069 · 2935069
InChI: 1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
InChIKey: XBWOPGDJMAJJDG-ZETCQYMHSA-N
SMILES: C[C@H](N)C1CCCCC1
NIST: -1 · (S)-(+)-1-Cyclohexylethylamine(17430-98-7)

화학적 성질

optical purity >99% ee

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (75%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.