3,5-디메틸-1H-피라졸-1-카르복스아미딘질산염

3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrate

HCID 198186CAS 22907-04-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C)n(C(=N)N)n1.O=[N+]([O-])O
InChIKey: AGYXIUAGBLMBGV-UHFFFAOYSA-N
분자식: C6H11N5O3
평균 분자량: 201.18 g/mol
단동위원소 질량: 201.08618921

이름 및 식별자

우선 이름: 3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrate
IUPAC: 3,5-dimethylpyrazole-1-carboximidamide;nitric acid
현지명: 3,5-디메틸-1H-피라졸-1-카르복스아미딘질산염
영어명: 3,5-dimethyl-1H-pyrazole-1-carboxamidine nitrate
분자식: C6H11N5O3
분자량: 201.19

이름 및 동의어

3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrateRefChem:486952253-815-038184-47-33,5-Dimethylpyrazole-1-carboxamidine nitrate3,5-Dimethyl-1H-pyrazole-1-carboximidamide nitrate22907-04-61-Amidino-3,5-dimethylpyrazole nitrateMFCD000127153,5-Dimethyl-1H-pyrazole-1-carboxamidine nitrate3,5-dimethylpyrazole-1-carboximidamide;nitric acidPyrazole-1-carboxamidine, 3,5-dimethyl-, nitrate

이름 더 보기

3,5-디메틸-1H-피라졸-1-카르복스아미딘질산염3,5-Dimethyl-1H-pyrazole-1-carboxamidine/nitric acid,(1:x)

1H-Pyrazole-1-carboximidamide, 3,5-dimethyl-, mononitrate3,5-Dimethyl-1-pyrazolylformaminidium nitrateNSC-544933,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acidEINECS 245-316-1SCHEMBL637677DTXSID401377509U55Y5Y836M

데이터베이스 식별자

CAS: 22907-04-6、38184-47-3
PubChem CID: 198186
DTXSID: DTXSID401377509
UNII: U55Y5Y836M
EC Number: 245-316-1、253-815-0

물성

구조 계산 물성

극성 표면적: 134 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 169

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, 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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.