1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
Basic information
- CAS
67151-63-7- Standard SMILES
CC(O)CN(CCCN(C)C)CCCN(C)C- InChIKey
NWDRKFORNVPWLY-UHFFFAOYSA-N- Molecular formula
- C13H31N3O
- Average molar mass
- 245.4 g/mol
- Monoisotopic mass
- 245.24671262
Names & identifiers
- Preferred name
- 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
- IUPAC
- 1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
- English name
- 1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol
- Molecular formula
- C13H31N3O
- Molecular weight
- 245.4
Names & synonyms
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
Show more names
N,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
Database identifiers
- CAS
67151-63-7- PubChem CID
- 106705
- DTXSID
DTXSID2044975- ChEMBL
CHEMBL3183613- UNII
- V3Z0042FN5
- EC Number
- 266-587-2
- Nikkaji
- J310.203C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Physical DescriptionLiquid
Collision Cross Section158.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044975]
Physicochemical properties
- Boiling point
- 290 °C · 290 °C(lit.)
- Density
- 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
- vapor pressure
- 1.7 Pa · 1.7Pa at 20℃
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 14.81 · 14.81±0.20(Predicted)
- Viscosity
- 16.83 mm2/s · 16.83mm2/s
- Water Solubility
- 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
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
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.
Hazard information
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%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- risk_code
- 20/21/22-34
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
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
Applications
UsesCatalyst for low-density packaging foams. Contains terminal hydroxyl groups that can react with isocyanates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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