(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane

HCID 11029795CAS 134679-22-4

기본 정보

표준 SMILES: CN1C[C@@H]2C[C@H]1CN2
InChIKey: YFDRYBUJCGOYCQ-WDSKDSINSA-N
분자식: C6H12N2
평균 분자량: 112.17 g/mol
단동위원소 질량: 112.10004838

이름 및 식별자

우선 이름: (1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane
IUPAC: (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane
영어명: (1S,4S)-5-Methyl-2,5-diazabicyclo[2.2.1]heptane
분자식: C6H12N2
분자량: 112.17

이름 및 동의어

(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane134679-22-4DTXSID70452416(1S,4S)-2-Methyl-2,5-diazabicyclo(2.2.1)heptaneRefChem:205260DTXCID60403235853-792-2(1S,4S)-5-METHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANEMFCD11519126(1S,4S)-2-methyl-2,5-diaza-bicyclo[2.2.1]heptaneSCHEMBL271944SCHEMBL1394096

이름 더 보기

SCHEMBL271643032,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, (1S,4S)-YFDRYBUJCGOYCQ-WDSKDSINSA-NAKOS016843535CS-0054608EN300-7279122(S,S)-2-methyl-2,5-diazabicyclo[2.2.1]heptaneF235109

데이터베이스 식별자

CAS: 134679-22-4
PubChem CID: 11029795
DTXSID: DTXSID70452416
EC Number: 853-792-2
Nikkaji: J293.196F

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 159.6 · 159.6±8.0 °C(Predicted)
밀도: 0.998 · 0.998±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.48 · 10.48±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403, 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.