Basic information
- CAS
123-70-6- Standard SMILES
CNCCCN(C)CCCNC- InChIKey
PQYGBJHVVYREGU-UHFFFAOYSA-N- Molecular formula
- C9H23N3
- Average molar mass
- 173.3 g/mol
- Monoisotopic mass
- 173.18919775
Overview
neurotoxic triamine; structure given in first source
Names & identifiers
- Preferred name
- Bis(3-(methylamino)propyl)methylamine
- IUPAC
- N,N'-dimethyl-N'-[3-(methylamino)propyl]propane-1,3-diamine
- English name
- 3,3'-Bis(methylamino)-N-methyldipropylamine
- Molecular formula
- C9H23N3
- Molecular weight
- 173.3
Names & synonyms
123-70-63,3'-Bis(methylamino)-N-methyldipropylamine3,3'-Methyliminobis(N-methylpropylamine)1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]-Bis(3-(methylamino)propyl)methylamineDTXSID80595581,3-Propanediamine, N,N'-dimethyl-N-(3-(methylamino)propyl)-3,3'-methylimino-bis-(N-methylpropylamine)3,3'-bis(methylamino)-N-methyl-dipropylamineRefChem:818534DTXCID1033795N1,N3-Dimethyl-N1-(3-(methylamino)propyl)propane-1,3-diamine
Show more names
3,3'-BIS(METHYLAMINO6-METHYL-2,6,10-TRIAZAUNDECANEN,N',N''-Trimethyldipropylenetriaminebis[(3-methylamino)propyl]methylamineN,N-BIS(3-(METHYLAMINO)PROPYL)METHYL AMINEN-Methyl-3,3'-bis(methylamino)dipropylamine
N,N-Bis[3-(methylamino)propyl]methylamineMethylbis(3-methylaminopropyl)amineMFCD00014857N,N'-dimethyl-N'-[3-(methylamino)propyl]propane-1,3-diamineN,N'-Dimethylmethyliminobis(dipropylamine)NSC 166322Dipropylamine,3'-bis(methylamino)-NSC-166322
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 75.8
Physicochemical properties
- Boiling point
- 65 °C · 65 °C(Press: 0.2 Torr)
- Density
- 0.857 · 0.857±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D 1.459
- storage temp.
- 2 · 2-8°C
- pka
- 10.82 · 10.82±0.10(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- BRN
- 6711228 · 6711228
- InChI
- 1S/C9H23N3/c1-10-6-4-8-12(3)9-5-7-11-2/h10-11H,4-9H2,1-3H3
- InChIKey
- PQYGBJHVVYREGU-UHFFFAOYSA-N
- SMILES
- CNCCCN(C)CCCNC
- FDA UNII
- 2 C4AX4WA · RU2C4AX4WA
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]- (123-70-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1760
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1,N3-dimethyl-N1-[3-(methylamino)propyl]-: ACTIVE
Suppliers40 total
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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