엔도-3-아민-9-메틸-9-아자비시클로[3,3,1]노난디히드로클로라이드

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride

HCID 18956997

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135906-03-5
표준 SMILES: CN1C2CCCC1CC(N)C2.Cl.Cl
InChIKey: ZYQLBGNYBPWAFH-UHFFFAOYSA-N
분자식: C9H20Cl2N2
평균 분자량: 227.17 g/mol
단동위원소 질량: 226.100354

이름 및 식별자

우선 이름: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
IUPAC: 9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
현지명: 엔도-3-아민-9-메틸-9-아자비시클로[3,3,1]노난디히드로클로라이드
영어명: Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride
분자식: C9H18N2.2ClH
분자량: 227.177

이름 및 동의어

9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride9-methyl-9-azabicyclo(3.3.1)nonan-3-amine;dihydrochlorideRefChem:549462806-536-9906081-58-19-methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride135906-03-59-Azabicyclo[3.3.1]nonan-3-aMine, 9-Methyl-, hydrochloride (13-amino-9-methyl-9-azabicyclo[3.3.1]nonane dihydrochlorideMFCD17976880Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane 2HClSCHEMBL703781

이름 더 보기

엔도-3-아민-9-메틸-9-아자비시클로[3,3,1]노난디히드로클로라이드9-Methyl-9-azobicyclo[3.3.1]nonane-3-AMINE.2HCLENDO-3-AMINE -9-METHYL-9-AZABICYCLO3,3,1NONANE 2HCLEndo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane DiHClendo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-aminehydrochlorideendo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-aMine DihydrochlorideEndo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonanedihydrochlorideEndo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochlor...Endo-3-Amine -9-Methyl-9-Azabicyclo[3,3,1]Nonane Dihydrochloride9-Azabicyclo[3.3.1]nonan-3-amine,9-methyl-,hydrochloride(1:2),(3-endo)-rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

rel-(1R,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride9-methyl-9-azabicyclo[3.3.1]nonan-3-amine,dihydrochlorideDTXSID20596859ZYQLBGNYBPWAFH-UHFFFAOYSA-NAKOS015915308AC-1976AS-15280SY344503

데이터베이스 식별자

CAS: 135906-03-5
PubChem CID: 18956997
DTXSID: DTXSID20596859
EC Number: 806-536-9

물성

구조 계산 물성

극성 표면적: 29.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 132

물리화학적 성질

저장 조건: Inert atmosphere,Room Temperature
용해도: soluble in No data available
InChI: InChI=1/C9H18N2.2ClH/c1-11-8-3-2-4-9(11)6-7(10)5-8;;/h7-9H,2-6,10H2,1H3;2*1H/t7-,8+,9-;;
InChIKey: ZYQLBGNYBPWAFH-IQJVJNHNNA-N
SMILES: N1(C)[C@@]2([H])CCC[C@]1([H])C[C@H](N)C2.Cl.Cl |&1:2,7,10,r|

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine Dihydrochloride is an impurity in the synthesis of Granisetron HCl (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.