6-Methylhept-5-en-2-amine, (+-)-
Basic information
- CAS
22462-79-9- Standard SMILES
CC(C)=CCCC(C)N- InChIKey
LINQVIAARQIDQJ-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609955
Names & identifiers
- Preferred name
- 6-Methylhept-5-en-2-amine, (+-)-
- IUPAC
- 6-methylhept-5-en-2-amine
- English name
- 1,5-dimethylhex-4-enylamine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
22462-79-91,5-Dimethylhex-4-enylamine1,5-Dimethyl-4-hexenylamine4-HEXENYLAMINE, 1,5-DIMETHYL-BRN 1740112EINECS 245-016-0909MSN4AOL5-Hepten-2-amine, 6-methyl-6-METHYL-5-HEPTEN-2-AMINEEC 245-016-0(1,5-DIMETHYL-4-HEXENYL)AMINEHEPTAMINOL IMPURITY A [EP IMPURITY]
Show more names
N-DesmethylisomethepteneHeptaminol Hydrochloride Impurity AHeptaminol Hydrochloride EP Impurity A
HEPTAMINOL IMPURITY A (EP IMPURITY)RefChem:5439866-Methylhept-5-en-2-amine, (+-)-6-methylhept-5-en-2-amine(2RS)-6-Methylhept-5-en-2-amine6-Methylhept-5-en-2-amine, (+/-)-5-Hepten-2-amine,6-methyl-Heptaminol impurity A CRS
Database identifiers
- CAS
22462-79-9- PubChem CID
- 31179
- DTXSID
DTXSID00945144- UNII
- 909MSN4AOL
- EC Number
- 245-016-0
- Nikkaji
- J49.440B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.7
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C8H17N/c1-7(2)5-4-6-8(3)9/h5,8H,4,6,9H2,1-3H3
- InChIKey
- LINQVIAARQIDQJ-UHFFFAOYSA-N
- SMILES
- NC(CCC=C(C)C)C
- FDA UNII
- 909 MSN4AOL · 909MSN4AOL
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Active
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
Regulatory InformationREACH registered substance: 1,5-dimethylhex-4-enylamine (EC: 245-016-0)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesHeptaminol EP impurity A is related to Heptaminol (H281170), which is used in the preparation of drugs for treating cardiovascular and cerebrovascular diseases. Heptaminol EP impurity A is also a converted metabolite of Isometheptene in human urine which can be detected via gas chromatography-mass spectrometry in doping control.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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