3-(Dimethylamino)propyl chloride hydrochloride
기본 정보
- CAS
5407-04-5- 표준 SMILES
CN(C)CCCCl.Cl- InChIKey
LJQNMDZRCXJETK-UHFFFAOYSA-N- 분자식
- C5H12ClN.ClH
- 평균 분자량
- 158.07 g/mol
- 단동위원소 질량
- 157.04250478
이름 및 식별자
- 우선 이름
- 3-(Dimethylamino)propyl chloride hydrochloride
- IUPAC
- 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
- 영어명
- 3-(Dimethylamino)propyl chloride hydrochloride
- 분자식
- C5H13Cl2N
- 분자량
- 158.07
이름 및 동의어
5407-04-53-(Dimethylamino)propyl chloride hydrochlorideDimethylaminopropyl chloride hydrochlorideDTXSID50222274031FU3Q6GNSC-5368DTXCID0022271-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1)RefChem:588503226-467-23-Dimethylaminopropylchloride hydrochloride3-chloro-N,N-dimethylpropan-1-amine hydrochloride
이름 더 보기
DMPC2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCL3-Dimethylaminopropylmagnesium chloride2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDEB-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE1-(DIMETHYLAMINO)-2-CHLOROPROPANE HYDROCHLORIDE2-DMPC
3-Dimethylaminopropyl chloride hydrochloride1281-00-13-Chloro-N,N-dimethylpropylamine hydrochlorideN,N-Dimethyl-3-chloropropylamine hydrochloride(3-chloropropyl)dimethylamine hydrochlorideMFCD000125211-Chloro-3-(dimethylamino)propane hydrochlorideDimethylaminopropyl chloride, hydrochloride
데이터베이스 식별자
- CAS
5407-04-5- PubChem CID
- 94308
- DTXSID
DTXSID5022227- ChEMBL
CHEMBL1362069- UNII
- 4031FU3Q6G
- EC Number
- 226-467-2
물성
구조 계산 물성
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 37.1
물리화학적 성질
- 녹는점
- 187 · 187-190 °C(lit.)
- 끓는 점
- 50 °C · 50 °C(Press: 40 Torr)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 2000 g/L · 2000g/L
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수소이온지수(pH)
- 5 · 5-6 (500g/l, H2O, 20℃)
- 수용성
- 녹는
- BRN
- 3670046 · 3670046
- InChI
- InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
- InChIKey
- LJQNMDZRCXJETK-UHFFFAOYSA-N
- SMILES
- C(CCCl)N(C)C.Cl
- EPA
- 3 · 3-Chloro-N,N-dimethyl-1-propanamine hydrochloride (5407-04-5)
화학적 성질
White to yellowish crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride
Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11744
3-Chlorodimethylpropylamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TY1225000
- HS 번호
- 29211990
- risk_code
- 22-36/37/38-52/53
- hazard_code
- Xn,Xi
- safety_code
- 26-61-37/39-36
- F 고인화성물질
- 3
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1): ACTIVE
응용 분야
용도3-(Dimethylamino)propyl chloride hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet
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