Basic information
- CAS
5966-51-8- Standard SMILES
CN(C)CC(O)CN(C)C- InChIKey
JGVZJRHAZOBPMW-UHFFFAOYSA-N- Molecular formula
- C7H18N2O
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.1419132
Overview
2-Propanol, 1,3-bis(dimethylamino)- is an amino alcohol.
Names & identifiers
- Preferred name
- 2-Propanol, 1,3-bis(dimethylamino)-
- IUPAC
- 1,3-bis(dimethylamino)propan-2-ol
- English name
- 1,3-Bis(dimethylamino)-2-propanol
- Molecular formula
- C7H18N2O
- Molecular weight
- 146.23
Names & synonyms
1,3-Bis(dimethylamino)-2-propanol5966-51-82-PROPANOL, 1,3-BIS(DIMETHYLAMINO)-BRN 1446002EINECS 227-754-5AI3-615981,3-Bis(dimethylamino)-2-hydroxypropane1,3-Bis(dimethylamino)isopropanol4-04-00-01695 (Beilstein Handbook Reference)DTXSID7064071RefChem:89154DTXCID5042663
Show more names
N,N,N',N'-TETRAMETHYL-1,3-DIAMINO-2-PROPANOL1,3-bis(dimethylamino)-2-propano1,3-bis-dimethylamino-propan-2-ol1,3-Bis(dimethylamino)propane-2-oltetramethyl-1,3-diamino-2-propanol1,3-Bis(dimethylamino)-2-propanol,95%
JGVZJRHAZOBPMW-UHFFFAOYSA-N1,3-Bis(dimethylamino)propan-2-ol[3-(dimethylamino)-2-hydroxypropyl]dimethylamineMFCD000083321,3-Bis(dimethylamino)-2-propanol, 97%CS-0239030EN300-2045066FT-0635923
Database identifiers
- CAS
5966-51-8- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 120 · 120-124 °C
- Boiling point
- 265.87 °C · 265.87°C (rough estimate)
- Density
- 0.897 g/mL · 0.897 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4422(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 14.58 · 14.58±0.20(Predicted)
- form
- liquid
- InChI
- InChI=1S/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3
- InChIKey
- JGVZJRHAZOBPMW-UHFFFAOYSA-N
- SMILES
- C(N(C)C)C(O)CN(C)C
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · 2-Propanol, 1,3-bis(dimethylamino)- (5966-51-8)
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
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Propanol, 1,3-bis(dimethylamino)-
2-Propanol, 1,3-bis(dimethylamino)-: 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 CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA7370000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1,3-bis(dimethylamino)-: ACTIVE
Suppliers24 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Shaanxi Dideu New Materials Co. Ltd
Related reactions
1 records
Compound notes
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