기본 정보
- CAS
67151-63-7- 표준 SMILES
CC(O)CN(CCCN(C)C)CCCN(C)C- InChIKey
NWDRKFORNVPWLY-UHFFFAOYSA-N- 분자식
- C13H31N3O
- 평균 분자량
- 245.4 g/mol
- 단동위원소 질량
- 245.24671262
이름 및 식별자
- 우선 이름
- 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
- IUPAC
- 1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
- 현지명
- 1-[비스[3-(디메틸아미노)프로필]아미노]-2-프로파놀
- 영어명
- 1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol
- 분자식
- C13H31N3O
- 분자량
- 245.4
이름 및 동의어
67151-63-71-[Bis[3-(dimethylamino)propyl]amino]-2-propanol1-(Bis(3-(dimethylamino)propyl)amino)propan-2-ol1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol1-(Bis(3-dimethylaminopropyl)amino)-2-propanolEINECS 266-587-2UNII-V3Z0042FN5DTXSID2044975V3Z0042FN52-Propanol, 1-(bis(3-(dimethylamino)propyl)amino)-EC 266-587-2
이름 더 보기
1-[비스[3-(디메틸아미노)프로필]아미노]-2-프로파놀1-[비스[3-(다이메틸아미노)프로필]아미노]-2-프로판올N,N-bis(3-dimethylaminopropyl)-N-isopropanol amineN,N-Bis(3-dimethylaminopropyl)4,4'-sulphonylbis[2-aminophenol1-(BIS(3-(DIMETHYLAMINO)PROPYL)AMINO)-1-(BIS(3-(DIMETHYLAMINO)PROPYL)AMINO)-2-Bis-(3-dimethylaminopropyl)-isopropanolaminebis-(3-Dimethylaminopropyl)imino-propan-2-olBis[3-(dimethylamino)propyl]amino-2-propanol2-Propanol, 1-bis3-(dimethylamino)propylamino-
DTXCID00249752-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]-n,n-bis(3-dimethylaminopropyl)isopropanolamine1-(bis(3-(dimethylamino)propyl)amino)-2-propanolN,N-BIS(3-DIMETHYLAMINOPROPYL)-N-(2-HYDROXYPROPYL)AMINERefChem:74626266-587-2SCHEMBL15177
데이터베이스 식별자
- CAS
67151-63-7- PubChem CID
- 106705
- DTXSID
DTXSID2044975- ChEMBL
CHEMBL3183613- UNII
- V3Z0042FN5
- EC Number
- 266-587-2
- Nikkaji
- J310.203C
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Physical DescriptionLiquid
Collision Cross Section158.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044975]
물리화학적 성질
- 끓는 점
- 290 °C · 290 °C(lit.)
- 밀도
- 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
- 증기압
- 1.7 Pa · 1.7Pa at 20℃
- 굴절률
- 20 · n20/D 1.459(lit.)
- 인화점
- 230 °F · >230 °F
- 산도 계수 (pKa)
- 14.81 · 14.81±0.20(Predicted)
- 수용성
- 100 g/L · 100g/L at 20℃
- InChI
- InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3
- InChIKey
- NWDRKFORNVPWLY-UHFFFAOYSA-N
- SMILES
- C(N(CCCN(C)C)CCCN(C)C)C(O)C
- LogP
- 0.587 at · 0.587 at 22.6℃
- EPA
- 2 · 2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- (67151-63-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 317 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol (EC: 266-587-2)
2-Propanol, 1-bis3-(dimethylamino)propylamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- risk_code
- 20/21/22-34
- hazard_code
- C
- safety_code
- 23-26-27-36/37/39-45
- 기존화학 물질
- 98-3-1089
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
화학 및 산업
용도 및 제조
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]-: ACTIVE
응용 분야
용도Catalyst for low-density packaging foams. Contains terminal hydroxyl groups that can react with isocyanates.
공급사61 곳
Hebei Jingbo New Material Technology Co., Ltd+86-19931165850 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
HebeiShuoshengImportandExportco.,Ltd+86-18532138899 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
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