Basic information
- CAS
40137-02-8- Standard SMILES
C=CC(C)(C)NC(C)(C)C- InChIKey
SXGXCSASZBCDRM-UHFFFAOYSA-N- Molecular formula
- C9H19N
- Average molar mass
- 141.25 g/mol
- Monoisotopic mass
- 141.15174961
Names & identifiers
- Preferred name
- N-tert-Butyl-1,1-dimethylallylamine
- IUPAC
- N-tert-butyl-2-methylbut-3-en-2-amine
- English name
- N-tert-Butyl-1,1-dimethylallylamine
- Molecular formula
- C9H19N
- Molecular weight
- 141.25
Names & synonyms
N-tert-Butyl-1,1-dimethylallylamine40137-02-8DTXSID80274540RefChem:364927DTXCID70226013624-192-6N-tert-butyl-2-methylbut-3-en-2-amineSCHEMBL479290AKOS025295293N-tert-Butyl-1,1-dimethylallylamine, 95%N-tert-Butyl-1,1-dimethylallylamine, 40137-02-8, ACMC-20ak0z, AC1L23WS, 513717_ALDRICH, CTK4I2511, AG-F-41979, N-tert-butyl-2-methylbut-3-en-2-amine, 3-Buten-2-amine,N-(1,1-dimethylethyl)-2-methyl-, Allylamine,N-tert-butyl-1,1-dimethyl- (6CI); N-tert-Butyl-N-(1,1-dimethylallyl)amine3-Buten-2-amine, N-(1,1-dimethylethyl)-2-methyl-
Database identifiers
- CAS
40137-02-8- PubChem CID
- 14477
- DTXSID
DTXSID80274540- EC Number
- 624-192-6
- Nikkaji
- J384.131F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Melting point
- 21.29 °C · 21.29°C
- Boiling point
- 141 °C · 141 °C (lit.)
- Density
- 0.774 g/mL · 0.774 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 70 °F · 70 °F
- pka
- 9.91 · 9.91±0.48(Predicted)
- InChI
- 1S/C9H19N/c1-7-9(5,6)10-8(2,3)4/h7,10H,1H2,2-6H3
- InChIKey
- SXGXCSASZBCDRM-UHFFFAOYSA-N
- SMILES
- CC(C)(C)NC(C)(C)C=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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
H225 (100%): Highly Flammable liquid and vapor [Danger 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 39 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 CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2920 8/PG 1
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-36/37/39-45
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H314
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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