시클로헥실에틸아민

(S)-(+)-1-Cyclohexylethylamine

HCID 5325951CAS 17430-98-7

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

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

이름 및 동의어

17430-98-7(S)-(+)-1-CyclohexylethylamineRefChem:407587629-006-7(S)-1-Cyclohexylethanamine(1S)-1-cyclohexylethanamine(s)-1-cyclohexylethan-1-amine(1S)-1-Cyclohexylethan-1-Amine(S)-1-cyclohexylethylamineMFCD00066261Cyclohexanemethanamine, alpha-methyl-, (alphaS)-CHEMBL19424

이름 더 보기

(S)-(+)-1-사이클로헥실에틸아민시클로헥실에틸아민1-Cyclohexylethanamine(S)-(+)-1-CYCLOHEXYETHYLAMINE(S)-(+)-1-AMINOETHYLCYCLOHEXANE(S)-(+)-1-CYCLOHEXYLETHYLAMINE 98%(S)-α-Methylcyclohexanemethanamine

(1S)-1-(cyclohexyl)ethylamineN-((S)-1-cyclohexyl-ethyl)amineBDBM50028637AKOS015840729AS-41203CS-0136578EN300-1126501-Cyclohexyl-ethylamine

데이터베이스 식별자

CAS: 17430-98-7
PubChem CID: 5325951
DTXSID: DTXSID40938494
ChEMBL: CHEMBL19424
EC Number: 629-006-7
Nikkaji: J58.885G

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

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 · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (69.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (69.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (70.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (26.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P262, 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, P361+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (69.8%)；Acute Tox. 3 (69.8%)；Skin Corr. 1B (100%)；Eye Dam. 1 (70.5%)；Aquatic Chronic 2 (26.8%)