Basic information
- CAS
14610-37-8- Standard SMILES
CNC(C)(C)C- InChIKey
ZQGJEUVBUVKZKS-UHFFFAOYSA-N- Molecular formula
- C5H13N
- Average molar mass
- 87.16 g/mol
- Monoisotopic mass
- 87.10479942
Names & identifiers
- Preferred name
- N-Methyl-tert-butylamine
- IUPAC
- N,2-dimethylpropan-2-amine
- English name
- N-METHYL-TERT-BUTYLAMINE
- Molecular formula
- C5H13N
- Molecular weight
- 87.16
Names & synonyms
Show more names
Database identifiers
- CAS
14610-37-8- PubChem CID
- 84552
- DTXSID
DTXSID70163272- UNII
- WYU2EJ5X3S
- EC Number
- 238-646-2
- Nikkaji
- J241.324H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 33.7
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -75 °C · -75°C (estimate)
- Boiling point
- 67 · 67-69 °C(lit.)
- Density
- 0.727 g/mL · 0.727 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.395(lit.)
- Flash point
- 15 °F · −15 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.76 · 10.76±0.20(Predicted)
- form
- liquid
- color
- Clear, colourless
- Sensitive
- Air Sensitive
- BRN
- 1730941 · 1730941
- InChI
- 1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
- InChIKey
- ZQGJEUVBUVKZKS-UHFFFAOYSA-N
- SMILES
- CNC(C)(C)C
- CAS DataBase Reference
- 14610 · 14610-37-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332-H314
- Precautionary statements
- 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-20/21/22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-34
- Hazard Note
- Highly Flammable/Corrosive
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29211990 · 29211990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29211990
- risk_code
- 11-20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- hazard_note
- Highly Flammable/Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302+H312+H332-H314
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesN-tert-Butylmethylamine may be used in the preparation of 3-benzyl-N-tert-butyl-N,3-dimethyl-2,3-dihydrobenzofuran-6-carboxamide. N-tert-Butylmethylamine (N-Methyl-tert-butylamine) may be used in the preparation of 2-(α-N-methyl-tert-butylaminobenzyl)-1-indenone.
Suppliers77 total
Related reactions
Compound notes
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