Basic information
- CAS
53369-71-4- Standard SMILES
CN(C)CC(C)(C)CN- InChIKey
ULDIVZQLPBUHAG-UHFFFAOYSA-N- Molecular formula
- C7H18N2
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.14699858
Names & identifiers
- Preferred name
- N,N,2,2-Tetramethylpropane-1,3-diamine
- IUPAC
- N',N',2,2-tetramethylpropane-1,3-diamine
- English name
- N,n,2,2-tetramethyl-1,3-propanediamine
- Molecular formula
- C7H18N2
- Molecular weight
- 130.23
Names & synonyms
53369-71-4N,N,2,2-Tetramethyl-1,3-propanediamine1,3-Propanediamine, N,N,2,2-tetramethyl-N,N,2,2-Tetramethylpropane-1,3-diamineEINECS 258-501-71,3-Propanediamine, N1,N1,2,2-tetramethyl-DTXSID2068844ULDIVZQLPBUHAG-UHFFFAOYSA-RefChem:821993DTXCID2041410258-501-7InChI=1/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3
Show more names
n,n,2,2-tetramethyl-3-propanediamineN,N,2,2-Tetramethyltrimethylenediamine2,2,N,N'-Tetramethyl-1,3-propanediamine2,2-Dimethyl-3-dimethylaminopropylamine
N1,N1,2,2-tetramethylpropane-1,3-diamineN,N-Dimethylneopentanediamine(3-amino-2,2-dimethylpropyl)dimethylamineN',N',2,2-tetramethylpropane-1,3-diamineMFCD00044018SCHEMBL363890SCHEMBL375617CHEMBL174545
Database identifiers
- CAS
53369-71-4- PubChem CID
- 104477
- DTXSID
DTXSID2068844- ChEMBL
CHEMBL174545- EC Number
- 258-501-7
- Nikkaji
- J208.409K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Melting point
- 28.9 °C · 28.9°C (estimate)
- Boiling point
- 155 · 155-158 °C (lit.)
- Density
- 0.818 g/mL · 0.818 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4355(lit.)
- Flash point
- 96 °F · 96 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 10.25 · 10.25±0.15(Predicted)
- color
- Clear colorless to light yellow
- InChI
- 1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3
- InChIKey
- ULDIVZQLPBUHAG-UHFFFAOYSA-N
- SMILES
- CN(C)CC(C)(C)CN
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N,2,2-tetramethyl- (53369-71-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 2921290090
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1,N1,2,2-tetramethyl-: ACTIVE
Applications
UsesThe pK1 and pK2 values of N,N,2,2-tetramethyl-1,3-propanediamine was determined.
General DescriptionThe pK1 and pK2 values of N,N,2,2-tetramethyl-1,3-propanediamine was determined.
Upstream & downstream products
Downstream products
Suppliers45 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
84 records
Compound notes
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