Methyl 3-aminoadamantane-1-carboxylate hydrochloride

HCID 2852886CAS 80110-35-6

기본 정보

표준 SMILES: COC(=O)C12CC3CC(CC(N)(C3)C1)C2.Cl
InChIKey: GMXYKQPNBFHSEJ-UHFFFAOYSA-N
분자식: C12H20ClNO2
평균 분자량: 245.74 g/mol

이름 및 식별자

우선 이름: Methyl 3-aminoadamantane-1-carboxylate hydrochloride
IUPAC: methyl 3-aminoadamantane-1-carboxylate;hydrochloride
영어명: Methyl 3-aminoadamantane-1-carboxylate hydrochloride
분자식: C12H19NO2.ClH
분자량: 245.75

이름 및 동의어

Methyl 3-aminoadamantane-1-carboxylate Hydrochloride80110-35-6RefChem:815245828-848-4methyl 3-aminoadamantane-1-carboxylate;hydrochlorideMFCD018265913-Aminoadamantane-1-carboxylic acid methyl ester hydrochlorideSCHEMBL1578926CHEMBL3343845GMXYKQPNBFHSEJ-UHFFFAOYSA-NAKOS026676817SY308007

이름 더 보기

3-Amino-1-adamantanecarboxylicacidmethylester hydrochloridemethyl (1r,3s,5R,7S)-3-aminoadamantane-1-carboxylate hydrochloride

Methyl 3-Aminoadamantane-1-carboxylate HClVU0024117-2EN300-297419F98215F494456Methyl3-aminoadamantane-1-carboxylateHydrochlorideSR-01000213434methyl 3-amino-1-adamantanecarboxylate hydrochloride

데이터베이스 식별자

CAS: 80110-35-6
PubChem CID: 2852886
ChEMBL: CHEMBL3343845
EC Number: 828-848-4

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 299

물리화학적 성질

저장 조건: 0 · Store at 0-8 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.