Home > Compound List > Compound details
862175-17-5 molecular structure
click picture or here to close

(hex-5-en-1-yl)(methyl)amine hydrochloride

ChemBase ID: 293378
Molecular Formular: C7H16ClN
Molecular Mass: 149.66164
Monoisotopic Mass: 149.0971272
SMILES and InChIs

SMILES:
C=CCCCCNC.Cl
Canonical SMILES:
CNCCCCC=C.Cl
InChI:
InChI=1S/C7H15N.ClH/c1-3-4-5-6-7-8-2;/h3,8H,1,4-7H2,2H3;1H
InChIKey:
AQBBGEJZLXNBKS-UHFFFAOYSA-N

Cite this record

CBID:293378 http://www.chembase.cn/molecule-293378.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(hex-5-en-1-yl)(methyl)amine hydrochloride
IUPAC Traditional name
hex-5-en-1-yl(methyl)amine hydrochloride
Synonyms
N-Methylhex-5-en-1-amine hydrochloride
CAS Number
862175-17-5
PubChem SID
180678909
PubChem CID
71413963

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD263203 Please log in.
Data Source Data ID
PubChem 71413963 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5190594  LogD (pH = 7.4) -1.1734403 
Log P 1.7161698  Molar Refractivity 37.8131 cm3
Polarizability 14.95949 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle