Basic information
- CAS
4444-67-1- Standard SMILES
CCCCNC(C)CC- InChIKey
MWZXRLJDNKCYOQ-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Names & identifiers
- Preferred name
- (Butan-2-yl)(butyl)amine
- IUPAC
- N-butan-2-ylbutan-1-amine
- English name
- Di-sec-butylamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
(butan-2-yl)(butyl)amineRefChem:405968959-651-24444-67-1sec-butyl-n-butyl-amineN-butan-2-ylbutan-1-amineN-(sec-Butyl)butan-1-amine1-Butanamine, N-(1-methylpropyl)-N-(SEC-BUTYL)-1-BUTANAMINEN-sec-butylbutan-1-amineSCHEMBL270258SCHEMBL270259
Show more names
butyl-sec-butylamineLABOTEST-BB LTBB000521di-sec-butylamine, mixture of (+/-) and meso
SCHEMBL5244122SCHEMBL5267526SCHEMBL9572893N-(Butan-2-yl)butan-1-amineSCHEMBL10757548SCHEMBL20594180SCHEMBL22157500DTXSID70399716
Database identifiers
- CAS
4444-67-1- PubChem CID
- 4133797
- DTXSID
DTXSID70399716- EC Number
- 959-651-2
- Nikkaji
- J478.782J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.5
Physicochemical properties
- Boiling point
- 135 °C765 · 135 °C765 mm Hg(lit.)
- Density
- 0.753 g/mL · 0.753 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.41(lit.)
- Flash point
- 69 °F · 69 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-20/21/22-34
- Safety Statements
- 16 · 16-26-27-33-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
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, 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, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2733 3/PG 2
- risk_code
- 11-20/21/22-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,C
- safety_code
- 16-26-27-33-36/37/39-45
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
重庆卡兰医药有限公司[email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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