Basic information
- CAS
4062-60-6- Standard SMILES
CC(C)(C)NCCNC(C)(C)C- InChIKey
KGHYGBGIWLNFAV-UHFFFAOYSA-N- Molecular formula
- C10H24N2
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.19394877
Names & identifiers
- Preferred name
- N,N'-Di-tert-butylethylenediamine
- IUPAC
- N,N'-ditert-butylethane-1,2-diamine
- English name
- N,N'-DI-TERT-BUTYLETHYLENEDIAMINE
- Molecular formula
- C10H24N2
- Molecular weight
- 172.31
Names & synonyms
N,N'-Di-tert-butylethylenediamine4062-60-61,2-Bis(tert-butylamino)ethaneN,N'-Bis(tert-butyl)ethylenediamine1,2-Ethanediamine, N,N'-bis(1,1-dimethylethyl)-AR 812426WAI8U5V0WEINECS 223-769-6DTXSID9044667N,N'-Di-tert-butylethane-1,2-diamineN,N'-Bis(1,1-dimethylethyl)-1,2-ethanediamine1,2-Ethanediamine, N1,N2-bis(1,1-dimethylethyl)-
Show more names
ar81242N,N'-Di-tert-butyL-di-tert-butylethylenediamineN,N'-Di-t-butylethylenediamineN,N'-DI-T-BUTYL ETHYLENE DIAMINEN,N-DI-TERT-BUTYLETHYLENEDIAMINE
AMINE SDA 172DTXCID7024667n,n'-di-tert-butyl-1,2-ethanediaminen,n'-di-tert-butyl-1,2-ethylenediamineN,N'-DI-TERT-BUTYL-1,4-DIAZABUTANEETHYLENEDIAMINE, N,N'-DI-TERT-BUTYL-RefChem:821876223-769-6
Database identifiers
- CAS
4062-60-6- PubChem CID
- 77680
- DTXSID
DTXSID9044667- ChEMBL
CHEMBL3183882- UNII
- 6WAI8U5V0W
- EC Number
- 223-769-6
- Nikkaji
- J92.419I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 53.35 °C · 53.35°C
- Boiling point
- 196 · 196-198 °C(lit.)
- Density
- 0.799 g/mL · 0.799 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.43(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble (33 g/L) (25°C),
- pka
- 10.49 · 10.49±0.38(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- BRN
- 1738432 · 1738432
- Henry's Law Constant
- 3.6 · 3.6×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3
- InChIKey
- KGHYGBGIWLNFAV-UHFFFAOYSA-N
- SMILES
- C(NC(C)(C)C)CNC(C)(C)C
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 (68.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N,N'-bis(tert-butyl)ethylenediamine (EC: 223-769-6)
Hazard Classes and CategoriesAcute Tox. 4 (68.6%)
Safety data
- F
- 10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KH8587137
- ridadr
- UN 2735 8/PG 2
- hs_code
- 2921.29.0055
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1,N2-bis(1,1-dimethylethyl)-: ACTIVE
Applications
UsesN,N'-Di-tert-butylethylenediamine is used as a primary and secondary intermediate. It is also used as a pharmaceutical intermediate.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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