3-아미노퀴누클리딘

3-Aminoquinuclidine

HCID 123238CAS 6238-14-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CN2CCC1CC2
InChIKey: REUAXQZIRFXQML-UHFFFAOYSA-N
분자식: C7H14N2
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.11569846

이름 및 식별자

우선 이름: 3-Aminoquinuclidine
IUPAC: 1-azabicyclo[2.2.2]octan-3-amine
현지명: 3-아미노퀴누클리딘
영어명: 3-Aminoquinuclidine
분자식: C7H14N2
분자량: 126.2

이름 및 동의어

3-Aminoquinuclidine6238-14-8RefChem:93007quinuclidin-3-amine1-azabicyclo[2.2.2]octan-3-amine1-aza-bicyclo[2.2.2]oct-3-ylamine3-Amino-1-azabicyclo[2.2.2]octane(1s,4s)-quinuclidin-3-amine1-Azabicyclo[2.2.2]oct-3-ylaminequinuclidine-3-ylamine781591-76-21-Azabicyclo(2.2.2)octan-3-amine

이름 더 보기

3-아미노퀴누클리딘（R）-1-Azabicyuclo[2.2.2] Octan-3-Amino

(S)-1-Aza-bicyclo[2.2.2]oct-3-ylamine(3S)-Aminoquinuclidine-D1Dihydrochloride3-amino quinuclidine3-amino-quinuclidineSCHEMBL260640SCHEMBL333973SCHEMBL1886047SCHEMBL9431600

데이터베이스 식별자

CAS: 6238-14-8
PubChem CID: 123238
DTXSID: DTXSID10869640
EC Number: 813-787-8
Nikkaji: J365.207F

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 218 · 218-220 °C
끓는 점: 35 · 35-40 °C(Press: 0.3 Torr)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.58 · 10.58±0.33(Predicted)
NIST: 3 · 3-Amino-1-azabicyclo[2.2.2]octane(6238-14-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.