1,1-Dimethylbutylamine
Basic information
- CAS
53310-02-4- Standard SMILES
CCCC(C)(C)N- InChIKey
KPNJYXKRHWAPHP-UHFFFAOYSA-N- Molecular formula
- C6H15N
- Average molar mass
- 101.19 g/mol
- Monoisotopic mass
- 101.12044948
Names & identifiers
- Preferred name
- 1,1-Dimethylbutylamine
- IUPAC
- 2-methylpentan-2-amine
- English name
- TERT-HEXYLAMINE
- Molecular formula
- C6H15N
- Molecular weight
- 101.19
Names & synonyms
1,1-Dimethylbutylamine53310-02-4DTXSID50329192RefChem:213776DTXCID502802942-methylpentan-2-aminetert-HEXYLAMINEdimethylbutanamine2-methylpent-2-ylamine(1,1-dimethylbutyl)amineSCHEMBL19991SCHEMBL107174
Show more names
2-methyl-2-Pentanamine2-Pentanamine, 2-methyl-2-Amino-2-methylpentane, 2-Methylpentan-2-amine
SCHEMBL358754SCHEMBL5609870SCHEMBL11499984SCHEMBL28230217SBB052122AKOS009997268DA-20382EN300-140613
Database identifiers
- CAS
53310-02-4- PubChem CID
- 418247
- DTXSID
DTXSID50329192- EC Number
- 803-993-6
- Nikkaji
- J3.752.349F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.1
Physicochemical properties
- Melting point
- -40.7 °C · -40.7°C (estimate)
- Boiling point
- 101.85 °C · 101.85°C
- Density
- 0.743 · 0.7430
- refractive index
- 1.405 · 1.4050
- pka
- 10.74 · 10.74±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302+H332-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302+H332-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…