기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)C1- InChIKey
CMIBWIAICVBURI-SSDOTTSWSA-N- 분자식
- C9H18N2O2
- 평균 분자량
- 186.25 g/mol
- 단동위원소 질량
- 186.13682782
이름 및 식별자
- 우선 이름
- (R)-(+)-1-Boc-3-aminopyrrolidine
- IUPAC
- tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
- 현지명
- (R)-(+)-1-Boc-3-아미노피롤리딘
- 영어명
- (R)-(+)-1-Boc-3-aminopyrrolidine
- 분자식
- C9H18N2O2
- 분자량
- 186.25
이름 및 동의어
(R)-(+)-1-Boc-3-aminopyrrolidine(r)-tert-butyl 3-aminopyrrolidine-1-carboxylateRefChem:406961604-556-0147081-49-0(r)-1-boc-3-aminopyrrolidinetert-butyl (3R)-3-aminopyrrolidine-1-carboxylate(R)-3-Amino-1-N-BOC-pyrrolidine(3R)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidineMFCD03419272(R)-(+)-N-Boc-3-aminopyrrolidine(r)-3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester
이름 더 보기
(R)-(+)-1-Boc-3-아미노피롤리딘(R)-(+)-1-Boc-3-aMin(R)-3-Amino-1-Boc-pyrroli...1-Boc-3-(R )-aminopyrrolidine(R)-3-AMINO-1-BOC-PYRROLIDINE(R)-3-AMINO-N-BOC-PYRROLIDINER-1-N-BOC-3-AMINO PYRROLIDINE
tert-butyl (3R)-3-aminopyrrolidinecarboxylate(R)-tert-butyl3-aminopyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-(R)-N-Boc-3-aminopyrrolidine(3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidinetert-butyl (R)-3-aminopyrrolidine-1-carboxylateR-N-boc-3-Amino PyrrolidineSCHEMBL241779
데이터베이스 식별자
- CAS
147081-49-0- PubChem CID
- 854070
- DTXSID
DTXSID00933026- EC Number
- 604-556-0
- Nikkaji
- J2.469.211F
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 55.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 198
물리화학적 성질
- 녹는점
- 243 · 243-244°C
- 끓는 점
- 243 · 243-244°C
- 밀도
- 1.098 · 1.098
- 굴절률
- 1.472 · 1.4720
- 인화점
- 196 °F · 196°F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 9.55 · 9.55±0.20(Predicted)
- 색상
- 맑은 연한 노란색
- InChI
- InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
- InChIKey
- CMIBWIAICVBURI-SSDOTTSWSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](N)C1
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (82.7%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29339900
- risk_code
- 22-41-44
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39
- 포장분류
- Ⅲ
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도(R)-(+)-1-Boc-3-aminopyrrolidine may be used to prepare:Descarboxamide analog and Na-methylated analogs of 4-N-(Nω-nitro-L-argininyl)-trans-4-amino-L-proline amide.Histamine 3 (H3) receptor antagonists containing pyrrolidin-3-yl-N-methylbenzamide moiety.
상·하류 제품 정보
상류 원료
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
安庆奇创药业有限公司18061456370
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
海门慧聚药业有限公司0086-15189180296 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
大赛璐药物手性技术(上海)有限公司021-50460086-9 15921403865 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
苏州永健生物医药有限公司0512-69561956 18015581618
苏州岚云医药科技有限公司2332782371 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京爱莉生物科技有限公司025-83208295 18913388297 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
尚科生物医药(上海)有限公司021-68187180 13681683526 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
无锡中坤生化科技有限公司+86 0510-85629785
上海泽信化工科技有限公司021-60136491 15901897992
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海乐济生化科技有限公司+86-21-51762186 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
관련 반응
250건
연결된 노트
불러오는 중…