(-)-1-Cyclohexylethylamine

HCID 10997046

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5913-13-3
표준 SMILES: C[C@@H](N)C1CCCCC1
InChIKey: XBWOPGDJMAJJDG-SSDOTTSWSA-N
분자식: C8H17N
평균 분자량: 127.23 g/mol
단동위원소 질량: 127.13609955

이름 및 식별자

우선 이름: (-)-1-Cyclohexylethylamine
IUPAC: (1R)-1-cyclohexylethanamine
영어명: (R)-(-)-1-Cyclohexylethylamine
분자식: C8H17N
분자량: 127.23

이름 및 동의어

(-)-1-cyclohexylethylamineRefChem:3909105913-13-3(R)-(-)-1-Cyclohexylethylamine(1R)-1-cyclohexylethanamine(R)-1-cyclohexylethylamine(r)-1-cyclohexylethan-1-amine(R)-1-CyclohexylethanamineMFCD00043338(1R)-1-cyclohexylethan-1-amineR-(-)-Cyclohexylethylamine(1R)-1-cyclohexylethylamine

이름 더 보기

R(-)-ALPHA-METHYLCYCLOHEXANEMETHYLAMINE[(1R)-1-Cyclohexylethyl]amine(R)-alpha-cyclohexanemethylamine(R)-(-)-(1-Aminoethyl)cyclohexane(R)-(-)-1-CYCLOHEXYLETHYLAMINE 98%

(R)-1-cyclohexyl-ethylamineCHEMBL19290EN300-98887Cyclohexanemethanamine, alpha-methyl-, (alphaR)-(R)-(-)-1-Cyclohexylethylamine, purum, >=98.0% (sum of enantiomers, GC)1-Cyclohexyl-ethylamine1-Cyclohexylethanamine #(R)-(?)-|A-Methylcyclohexanemethylamine

데이터베이스 식별자

CAS: 5913-13-3
PubChem CID: 10997046
DTXSID: DTXSID801367550
ChEMBL: CHEMBL19290
EC Number: 227-634-2
Nikkaji: J58.886E

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: 177 · 177-178 °C (lit.)
밀도: 0.866 g/mL · 0.866 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.463
인화점: 126 °F · 126 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.89 · 10.89±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 에 용해됨아세톤, 에 용해됨클로로포름, 디메틸 설폭사이드, 에탄올, 메탄올, 에테르, 석유 에테르 및 디클로로메탄과 혼합 가능. 물에 불용성.
BRN: 2935070 · 2935070
InChI: 1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
InChIKey: XBWOPGDJMAJJDG-SSDOTTSWSA-N
SMILES: C[C@@H](N)C1CCCCC1
NIST: R-(-)-Cyclohexylethylamine(5913-13-3)

화학적 성질

optical purity >99% ee

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, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 4 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
ridadr: UN 2734 8/PG 2
HS 번호: 2921309990
risk_code: 10-21/22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 3-10-23
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도(R)-(-)-1-Cyclohexylethylamine is used in the preparation of benzylidene(1-cyclohexylethyl)amine by reacting with benzaldehyde. It is also used to prepare chiral polymethacrylamides, which are employed as stationary phases for the liquid-chromatographic resolution of racemic amides. In addition to this, it is used in the preparation of polyamides bound to silica gel for high performance liquid chromatography, which are pressure-stable.

일반 설명(R)-(-)-1-Cyclohexylethylamine is a chiral amine mainly used as a resolving agent for racemic compounds.