Basic information
- CAS
92779-83-4- Standard SMILES
CCCCCC(N)c1ccccc1- InChIKey
AGKIPYDSTSIPBU-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 1-Phenylhexan-1-amine
- IUPAC
- 1-phenylhexan-1-amine
- English name
- 1-phenylhexan-1-amine
- Molecular formula
- C12H19N
- Molecular weight
- 177.28596
Names & synonyms
1-phenylhexan-1-amine92779-83-4RefChem:435713877-979-3(1R)-1-phenylhexan-1-aminebenzene, (1-aminohexyl)-SCHEMBL869237SCHEMBL3587597SCHEMBL5712339SDA77983AKOS005289352SB73965
Show more names
1-phenyl-hexylamineBenzenemethanamine, α-pentyl-
CS-0257766EN300-67673N12530Z362781052
Database identifiers
- CAS
92779-83-4- PubChem CID
- 44818
- EC Number
- 877-979-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 82 · 82-83 °C(Press: 0.9 Torr)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H332-H335-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H332-H335-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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