기본 정보
- CAS
7068-83-9- 표준 SMILES
CCCCN(C)N=O- InChIKey
PKTSCJXWLVREKX-UHFFFAOYSA-N- 분자식
- C5H12N2O
- 평균 분자량
- 116.16 g/mol
- 단동위원소 질량
- 116.09496301
개요
N-Nitrosomethyl-n-butylamine can cause cancer according to an independent committee of scientific and health experts.
이름 및 식별자
- 우선 이름
- N-Methyl-N-nitroso-1-butanamine
- IUPAC
- N-butyl-N-methylnitrous amide
- 현지명
- 메틸부틸니트로사민
- 영어명
- Methylbutylnitrosamine
- 분자식
- C5H12N2O
- 분자량
- 116.16
이름 및 동의어
7068-83-9MethylbutylnitrosamineNitrosomethyl-N-butylamineButylmethylnitrosamineMBNAN-Methyl-N-nitrosobutylamineMethyl-n-butylnitrosamineN-NITROSO-N-METHYLBUTYLAMINEMethylbutylnitrosoamineN-Nitroso-n-butylmethylamineN-Nitrosomethyl-N-butylamineButanamine, N-methyl-N-nitroso-
이름 더 보기
메틸부틸니트로사민methyl-butyl-nitrosaminNITROSOMETHYLBUTYLAMINEN-NITROSOBUTYLMETHYLAMINEN-NITROSO-METHYLBUTYLAMINEN-Methyl-N-butylnitrosamine
Butylamine, N-methyl-N-nitroso-N-METHYL-N-NITROSO-1-BUTANAMINEF60APV88QLDTXSID20220960RefChem:830857DTXCID50143451NMBAN-Butyl-N-methylnitrosamine
데이터베이스 식별자
- CAS
7068-83-9- PubChem CID
- 23471
- DTXSID
DTXSID20220960- ChEMBL
CHEMBL348740- UNII
- F60APV88QL
- EC Number
- 623-017-0
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 65.4
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP1.12
Flash Point32.6 °C
Boiling Point193.6 °C
Vapor Density1
Vapor Pressure
0.21 [mmHg]
0.6 mmHg
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 217.23 °C · 217.23°C (rough estimate)
- 밀도
- 0.93 g/mL · 0.93 g/mL(lit.)
- 굴절률
- 1.4496 · 1.4496 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Methanol (Soluble)
- 물리적 상태
- 무색 용액
- 산도 계수 (pKa)
- -3.39 · -3.39±0.70(Predicted)
- 수용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+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.
유해성 정보
Regulatory InformationHazard Traits - Carcinogenicity
Hazards Summary
Causes other changes in lungs, thorax, or respiration and other liver changes in intraperitoneal lethal-dose studies of rats; [RTECS] Highly toxic by ingestion, inhalation, and skin absorption; Possible carcinogen; [Sigma-Aldrich MSDS] See NITROSAMINES.
NFPA Hazard Classification
4 - Materials that, under emergency conditions, can be lethal.
0 - Materials that will not burn under typical fire conditions, including intrinsically noncombustible materials such as concrete, stone, and sand.
0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and CategoriesAcute Tox. 2 (97.5%)
안전 데이터
- wgk
- 3
- rtecs
- EO5425000
- ridadr
- UN 2810 6.1/PG 2
- risk_code
- 45-46-26/27/28
- hazard_code
- T+
- safety_code
- 53-23-36/37/39-45
화학 및 산업
공급사10 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
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