5-amino-1-methyl-1H-pyrazole-4-carboxylic acid

HCID 313342CAS 4058-91-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cn1ncc(C(=O)O)c1N
InChIKey
NVRCXLPKLCKSSN-UHFFFAOYSA-N
분자식
C5H7N3O2
평균 분자량
141.13 g/mol
단동위원소 질량
141.05382646

이름 및 식별자

우선 이름
5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC
5-amino-1-methylpyrazole-4-carboxylic acid
영어명
1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)
분자식
C5H7N3O2
분자량
141.13

이름 및 동의어

5-amino-1-methyl-1H-pyrazole-4-carboxylic acidDTXSID10310440RefChem:532033DTXCID30261566692-031-74058-91-75-Amino-1-methylpyrazole-4-carboxylic acidMFCD00973833SCHEMBL535661STK936436AKOS001312264AC-3059
이름 더 보기
EOS-618075-Amino-4-carboxy-1-methyl-1H-pyrazole5-Amino-1-methylpyrazole-4-carboxylicAci5-azanyl-1-methyl-pyrazole-4-carboxylic acid5-AMino-1-Methyl-1H-pyrazole-4-carboxylic acid Methyl ester1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI) USP/EP/BP
AS-5653MB01617SY0037111H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)NSC2272305-amino-1-methyl-pyrazole-4-carboxylic acid5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid

데이터베이스 식별자

CAS
4058-91-7
PubChem CID
313342
DTXSID
DTXSID10310440
EC Number
692-031-7

물성

구조 계산 물성

XLogP
0
극성 표면적
81.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

끓는 점
371.3 · 371.3±27.0 °C(Predicted)
밀도
1.56 · 1.56±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa)
4.62 · 4.62±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (75%)

안전 데이터

HS 번호
2933199090

화학 및 산업

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

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3건
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