기본 정보
- 표준 SMILES
CC(=O)O.N=CN- InChIKey
XPOLVIIHTDKJRY-UHFFFAOYSA-N- 분자식
- C2H4O2.CH4N2
- 평균 분자량
- 104.11 g/mol
이름 및 식별자
- 우선 이름
- Formamidine acetate
- IUPAC
- acetic acid;methanimidamide
- 현지명
- 포름아미딘 아세트산
- 영어명
- Formamidine acetate
- 분자식
- C3H8N2O2
- 분자량
- 104.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3473-63-0- PubChem CID
- 160693
- UNII
- VX3J2EM4N7
- EC Number
- 222-442-5
물성
구조 계산 물성
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 41.3
물리화학적 성질
- 녹는점
- 158 · 158-161 °C (dec.)(lit.)
- 밀도
- 1.124 · 1.124
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 832 g/L · 832g/L
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- 수소이온지수(pH)
- 8 · 8 (400g/l, H2O, 20℃)
- 수용성
- 832 g/L · 832g/L(21℃)
- BRN
- 3563488 · 3563488
- InChI
- InChI=1S/C2H4O2.CH4N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1H,(H3,2,3)
- InChIKey
- XPOLVIIHTDKJRY-UHFFFAOYSA-N
- SMILES
- C(C)(=O)O.C(=N)N
- EPA
- Methanimidamide, monoacetate (3473-63-0)
화학적 성질
white to light yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (12.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanimidamide, monoacetate
Status: Active Update: 27-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12119
Formamidine acetate: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: 2510 mg/kg LD50 dermal Rat > 2000 mg/kg
- HS 번호
- 29252000
- risk_code
- 43-36/37/38
- hazard_code
- Xi
- safety_code
- 36/37-37/39-26-36/37/39-27
- 기존화학 물질
- KE-23192
- F 고인화성물질
- 3-9-21
- 자연 발화 온도
- 565 °C
- Hazard Classifications
- Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
개요Formamidine acetate is an anti-tuberculosis drug that belongs to the class of aminoglycosides. It has been shown to have a potent cytotoxic effect on malignant brain cells in vitro. It inhibits bacterial growth by binding to DNA-dependent RNA polymerase, thereby preventing transcription and replication. The high frequency of human activity has been shown using a patch-clamp technique on human erythrocytes. This active form is metabolized through a number of metabolic transformations, including hydrolysis by esterases or glucuronidases, oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or conjugation with glucuronic acid. It also specifically binds to markers expressed at high levels in Mycobacterium tuberculosis strains (e.g., ESX-1 secretion system protein) and inhibits cell growth in culture.
용도Formamidine acetate is used as an intermediate in the synthesis of active pharmaceutical ingredients. It is also used as a condensing agent for the preparation of pyrimidine and imidazole heterocycles.
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