기본 정보
- CAS
1209-04-7- 표준 SMILES
NC1CCN(CCc2ccccc2)CC1- InChIKey
BCEKLYJIVXGPLQ-UHFFFAOYSA-N- 분자식
- C13H20N2
- 평균 분자량
- 204.31 g/mol
- 단동위원소 질량
- 204.16264865
이름 및 식별자
- 우선 이름
- 1-(2-Phenylethyl)piperidin-4-amine
- IUPAC
- 1-(2-phenylethyl)piperidin-4-amine
- 현지명
- 1-페네틸-피페리딘-4-일라민
- 영어명
- 1-Phenethyl-piperidin-4-ylamine
- 분자식
- C13H20N2
- 분자량
- 204.31
이름 및 동의어
1-(2-phenylethyl)piperidin-4-amineRefChem:422620675-996-91-phenethylpiperidin-4-amine51448-56-74-Amino-1-N-phenylethylpiperidine4-amino-1-phenethylpiperidine1-Phenethyl-piperidin-4-ylamineMFCD03411613CHEMBL4234301-(2-PHENYLETHYL)-4-PIPERIDINAMINE4-piperidinamine, 1-(2-phenylethyl)-, dihydrochloride
이름 더 보기
1-페네틸-피페리딘-4-일라민N-phenylethyl-4-aminopiperidineN-(PHENETHYL)-4-AMINO-PIPERIDINE1-(2-Phenethyl)-4-Amino Piperidine
1-(2-PHENYLETHYL)PIPERIDIN-4-AMINE DIHYDROCHLORIDEn-(2-phenethyl)-4-aminopiperidinen-(2-phenethyl)-4-amino piperidine(phenethyl)-4-aminopiperidin1-phenethyl-4-aminopiperidine-(phenethyl)-4-aminopiperidinSCHEMBL18034842-phenylethyl-4-aminopiperidine
데이터베이스 식별자
- CAS
1209-04-7、51448-56-7- PubChem CID
- 10728788
- DTXSID
DTXSID70444078- ChEMBL
CHEMBL423430- EC Number
- 180-911-9、675-996-9
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 29.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 167
물리화학적 성질
- 끓는 점
- 142 ℃ · 142℃ (0.10 Torr)
- 밀도
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.48 · 10.48±0.20(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C13H20N2/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
- InChIKey
- BCEKLYJIVXGPLQ-UHFFFAOYSA-N
- SMILES
- NC1CCN(CC1)CCc2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 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 Categories
Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；Skin Corr. 1B (75%)；STOT SE 3 (50%)
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- WGK 3
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
공급사25 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
青岛海力诺化工有限公司[email protected]
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