CAS 1142952-12-2 1-[(pyridin-2-yl)methyl]-1H-pyrazol-3-amine (HCID 47002770)

기본 정보

CAS: 1142952-12-2
표준 SMILES: Nc1ccn(Cc2ccccn2)n1
InChIKey: SUXMDEJSGWBFTG-UHFFFAOYSA-N
분자식: C9H10N4
평균 분자량: 174.2 g/mol
단동위원소 질량: 174.09054634

이름 및 식별자

우선 이름: 1-[(pyridin-2-yl)methyl]-1H-pyrazol-3-amine
IUPAC: 1-(pyridin-2-ylmethyl)pyrazol-3-amine

이름 및 동의어

1142952-12-21-[(pyridin-2-yl)methyl]-1h-pyrazol-3-amine1-((pyridin-2-yl)methyl)-1H-pyrazol-3-amineRefChem:418894846-243-31-(pyridin-2-ylmethyl)-1H-pyrazol-3-amine1-(pyridin-2-ylmethyl)pyrazol-3-amine1-Pyridine-2-ylmethyl-1H-pyrazole-3-ylamineSCHEMBL2657803SUXMDEJSGWBFTG-UHFFFAOYSA-NSVB95212MFCD12149378

이름 더 보기

AKOS009998354DA-15308SY1822841-(2-Pyridylmethyl)-1H-pyrazol-3-amineCS-0252732EN300-61417Z234898243

데이터베이스 식별자

CAS: 1142952-12-2
PubChem CID: 47002770
EC Number: 846-243-3

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 56.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.