4-아미노-5-아미노메틸-2-메틸피리민
4-Amino-2-methyl-5-pyrimidinemethanamine
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기본 정보
- CAS
101080-48-2- 표준 SMILES
Cc1ncc(CN)c(N)n1- InChIKey
OZOHTVFCSKFMLL-UHFFFAOYSA-N- 분자식
- C6H10N4
- 평균 분자량
- 138.17 g/mol
- 단동위원소 질량
- 138.09054632
개요
4-amino-5-aminomethyl-2-methylpyrimidine is an aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively. It is a conjugate base of a 4-amino-5-ammoniomethyl-2-methylpyrimidine.
이름 및 식별자
- 우선 이름
- 4-Amino-2-methyl-5-pyrimidinemethanamine
- IUPAC
- 5-(aminomethyl)-2-methylpyrimidin-4-amine
- 현지명
- 4-아미노-5-아미노메틸-2-메틸피리민
- 영어명
- 4-Amino-5-Aminomethyl-2-Methylpyrimiine
- 분자식
- C6H10N4
- 분자량
- 138.17
이름 및 동의어
95-02-34-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE2-Methyl-4-amino-5-aminomethylpyrimidine4-AMINO-2-METHYL-5-PYRIMIDINEMETHANAMINEEU1UNR0P28CHEBI:44549DTXSID40241713RefChem:97783DTXCID70164204202-384-75-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE4-Amino-2-methylpyrimidine-5-methylamine
이름 더 보기
4-아미노-5-아미노메틸-2-메틸피리민N5,2-Dimethylpyrimidine-4,5-diamineN5,2-Dimethyl-4,5-pyrimidinediamine4,5-Pyrimidinediamine,N5,2-dimethyl-4-Amino-5-(methylamino)-2-methylpyrimidinePyrimidine, 4-amino-2-methyl-5-methylamino-Pyrimidine, 4-amino-2-methyl-5-methylamino- (6CI)
5-Pyrimidinemethanamine, 4-amino-2-methyl-GREWE DIAMINEEINECS 202-384-7MFCD000788804-Amino-5-Aminomethyl-2-Methylpyrimiine4-Amino-5-(aminomethyl)-2-methylpyrimidineDB032045-(Aminomethyl)-2-methyl-4-pyrimidinamine
데이터베이스 식별자
- CAS
101080-48-2、95-02-3- PubChem CID
- 66762
- DTXSID
DTXSID40241713- ChEBI
CHEBI:44549- UNII
- EU1UNR0P28
- EC Number
- 202-384-7
- Nikkaji
- J27.937D
물성
구조 계산 물성보충 중
- XLogP
- -0.3
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 287.3 · 287.3±25.0 °C(Predicted)
- 밀도
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 산도 계수 (pKa)
- 7.62 · 7.62±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30228
Hazard Classes and CategoriesSkin Irrit. 2 (80%)
관련 반응
13건
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