Basic information
- CAS
540-43-2- Standard SMILES
CCCCCC(C)NC- InChIKey
BGWFQRDYRSCOCO-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Names & identifiers
- Preferred name
- N-Methyl-2-heptanamine
- IUPAC
- N-methylheptan-2-amine
- English name
- N,1-dimethylhexylamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
MethylaminoheptanePacamineNeosupranol2-Methylaminoheptane540-43-22-Heptanamine, N-methyl-HEXYLAMINE, N,1-DIMETHYL-GXY7TL4M5RNSC-27122n-methyl-2-heptanamineRefChem:1091878Oenethyl
Show more names
2-Methylamino-heptanmethyl(1-methylhexyl)amine
N,1-DimethylhexylamineN-methylheptan-2-amine2-HeptylmethylamineNSC 27122UNII-GXY7TL4M5RBRN 1733023Methyl(2-heptyl)amineHexylamine,1-dimethyl-
Database identifiers
- CAS
540-43-2- PubChem CID
- 10896
- DTXSID
DTXSID50862150- UNII
- GXY7TL4M5R
- Nikkaji
- J13.763D
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- Melting point
- -66 °C · -66°C (estimate)
- Boiling point
- 159.36 °C · 159.36°C (estimate)
- Density
- 0.7852 · 0.7852 (estimate)
- refractive index
- 1.4148 · 1.4148 (estimate)
- pka
- 11.14 · 11.14±0.10(Predicted)
- form
- solid
- InChI
- 1S/C8H19N/c1-4-5-6-7-8(2)9-3/h8-9H,4-7H2,1-3H3
- InChIKey
- BGWFQRDYRSCOCO-UHFFFAOYSA-N
- SMILES
- CCCCCC(C)NC
- FDA UNII
- 7 TL4M5R · GXY7TL4M5R
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 264 · P264-P273-P280-P305+P351+P338-P337+P313-P391
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H400
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P305+P351+P338-P337+P313-P391
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
广州凯途化学有限公司18933936954 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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