기본 정보
- CAS
200267-75-0- 표준 SMILES
N[C@@H](Cc1ccccc1)CN1CCCC1- InChIKey
YDLCAQYNXGDYTM-ZDUSSCGKSA-N- 분자식
- C13H20N2
- 평균 분자량
- 204.31 g/mol
- 단동위원소 질량
- 204.16264865
이름 및 식별자
- 우선 이름
- (2S)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine
- IUPAC
- (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
- 영어명
- (S)-2-PHENYL-1-PYRROLIDIN-1-YLMETHYL-ETHYLAMINE
- 분자식
- C13H20N2
- 분자량
- 204.31
이름 및 동의어
200267-75-0DTXSID70627586(2S)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amineRefChem:206868DTXCID40578339(S)-2-Phenyl-1-pyrrolidin-1-ylmethyl-ethylamine(S)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amineMFCD05863902(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine(S)-|A-(Phenylmethyl)-1-pyrrolidinethanamine(S)-ALPHA-(PHENYLMETHYL)-1-PYRROLIDINETHANAMINESCHEMBL7369953
이름 더 보기
(S)-a-benzyl-1-pyrrolidineethanamine(S)-a-benzyl-1-pyrrolidineethanaMine 2HCl(S)-α-(Phenylmethyl)-1-pyrrolidinethanamine(R)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine1-Pyrrolidineethanamine,a-(phenylmethyl)-, (aS)-1-Pyrrolidineethanamine, α-(phenylmethyl)-, (αS)-(S)-α-(Phenylmethyl)-1-pyrrolidinethanamine
CS-B0739AKOS016011069AS-41129(S)--(Phenylmethyl)-1-pyrrolidinethanamine(2S)-1-phenyl-3-pyrrolidin-1-yl-propan-2-amineF040549(S)-alpha-(Phenylmethyl)-1-pyrrolidinethanamine, 96%
데이터베이스 식별자
- CAS
200267-75-0- PubChem CID
- 22689565
- DTXSID
DTXSID70627586- EC Number
- 664-399-9
- Nikkaji
- J2.213.342J
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
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 169
물리화학적 성질
- 끓는 점
- 332.4 · 332.4±30.0 °C(Predicted)
- 밀도
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.04 · 10.04±0.20(Predicted)
- 물리적 상태
- liquid
- BRN
- 10160096 · 10160096
- InChI
- 1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2/t13-/m0/s1
- InChIKey
- YDLCAQYNXGDYTM-ZDUSSCGKSA-N
- SMILES
- N[C@H](CN1CCCC1)Cc2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3259PSN1 8 / PGII
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도(S)-α-(Phenylmethyl)-1-pyrrolidinethanamine can be used as an organocatalyst:In the Michael addition reaction of α-substituted vinyl ketones with malononitriles.In the aldol reactions of α-hydroxyketones with substituted aldehydes.In the asymmetric conjugate addition of vinyl ketones to azoles.
공급사14 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
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上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
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