기본 정보
- CAS
625120-81-2- 표준 SMILES
CCCCCN(C)CCC(=O)O.Cl- InChIKey
YDWXRULMHQZBEX-UHFFFAOYSA-N- 분자식
- C9H20ClNO2
- 평균 분자량
- 209.71 g/mol
- 단동위원소 질량
- 209.1182566
이름 및 식별자
- 우선 이름
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- IUPAC
- 3-[methyl(pentyl)amino]propanoic acid;hydrochloride
- 현지명
- 3-(N-메틸펜틸아미노)프로피온산염산염
- 영어명
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- 분자식
- C9H20ClNO2
- 분자량
- 209.71
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
625120-81-2- PubChem CID
- 16726423
- DTXSID
DTXSID20587383- UNII
- E7FT72BUU1
- EC Number
- 613-046-7
물성
구조 계산 물성
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 126
물리화학적 성질
- 녹는점
- 101 · 101-103°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H
- InChIKey
- YDWXRULMHQZBEX-UHFFFAOYSA-N
- SMILES
- Cl.N(CCCCC)(CCC(=O)O)C
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (20%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2922498050
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-(N-Methylpentylamino)propionic acid hydrochloride is an intermediate in the preparation of biphosphonate drugs used in the prevention and treatment of osteoporosis.
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