기본 정보
- CAS
61445-55-4- 표준 SMILES
CN(CCCC(=O)O)N=O- InChIKey
SJLBIPLIGYWGJV-UHFFFAOYSA-N- 분자식
- C5H10N2O3
- 평균 분자량
- 146.14 g/mol
- 단동위원소 질량
- 146.06914219
개요
N-nitroso-N-methyl-4-aminobutyric acid is a nitrosamine that has methyl and 3-carboxypropyl substituents. It is a tobacco-derived nitrosamino acid that is a known animal and potential human carcinogen. It induces bladder transitional cell carcinomas in rats and has recently been identified as a contaminant in certain blood pressure medications. It has a role as a carcinogenic agent, a xenobiotic metabolite, a plant metabolite and a rat metabolite. It is a monocarboxylic acid and a nitrosamine.
이름 및 식별자
- 우선 이름
- 4-(Methylnitrosoamino)butanoic acid
- IUPAC
- 4-[methyl(nitroso)amino]butanoic acid
- 현지명
- N-니트로소-N-메틸-4-아미노부틸산
- 영어명
- N-Nitroso-N-Methyl-4-Aminobutyric Acid
- 분자식
- C5H10N2O3
- 분자량
- 146.14
이름 및 동의어
61445-55-4N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACIDN-Methyl-N-(3-carboxypropyl)nitrosamine4-(Methylnitrosoamino)butanoic Acid4-(N-Nitroso-N-methylamino)butyric acidN-Nitrosomethyl-3-carboxypropylamineNNMAB7K7252TZ54CHEBI:176579RefChem:5165114-[methyl(nitroso)amino]butanoic acidNitrosomethyl-3-carboxypropylamine
이름 더 보기
N-니트로소-N-메틸-4-아미노부틸산NMBAN56-004Losartan Impurity 17Losartan Impurity 41Azisartan Impurity 102Azilsartan Impurity 102Nitrosoamine MCP ImpurityRosuvastatin Impurity 186Losartan genotoxic impurity
CCRIS 11234-(methyl(nitroso)amino)butanoic acidRosuvastatin Impurity 61MFCD00869939Butanoic acid,4-(methylnitrosoamino)-UNII-7K7252TZ54nitroso-methyl-3-carboxypropylamineAS-63516
데이터베이스 식별자
- CAS
61445-55-4- PubChem CID
- 43659
- DTXSID
DTXSID7040239- ChEBI
CHEBI:176579- UNII
- 7K7252TZ54
- EC Number
- 845-897-7
- Nikkaji
- J77.605J
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 126
물리화학적 성질
- 녹는점
- 25 °C · >25 °C
- 끓는 점
- 265.74 °C · 265.74°C (rough estimate)
- 밀도
- 1.3394 · 1.3394 (rough estimate)
- 굴절률
- 1.4954 · 1.4954 (estimate)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- 용해도
- Chloroform (Soluble), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.57 · 4.57±0.10(Predicted)
- 색상
- 황백색에서 노란색까지
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
- InChIKey
- SJLBIPLIGYWGJV-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCN(C)N=O
화학적 성질
Yellow Oil
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+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. 3 (75%)
안전 데이터
- wgk
- WGK 2
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
공급사100 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
苏州安莱杰生物医药有限公司18051891506 17314271506 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
江西普欣生物科技有限公司15867635987 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
台州市瑞欣化工有限公司0576-89085261 15867635987 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…