Home > Compound List > Compound details
5666-21-7 molecular structure
click picture or here to close

(prop-2-en-1-yl)(propyl)amine

ChemBase ID: 308557
Molecular Formular: C6H13N
Molecular Mass: 99.17412
Monoisotopic Mass: 99.10479942
SMILES and InChIs

SMILES:
C(=C)CNCCC
Canonical SMILES:
CCCNCC=C
InChI:
InChI=1S/C6H13N/c1-3-5-7-6-4-2/h3,7H,1,4-6H2,2H3
InChIKey:
HUEPADWXXGLLSW-UHFFFAOYSA-N

Cite this record

CBID:308557 http://www.chembase.cn/molecule-308557.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(prop-2-en-1-yl)(propyl)amine
IUPAC Traditional name
allylpropylamine
Synonyms
N-propyl-2-propen-1-amine
CAS Number
5666-21-7
MDL Number
MFCD11138143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4031693 external link Add to cart
Data Source Data ID Price
ChemBridge
4031693 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7987102  LogD (pH = 7.4) -1.0600132 
Log P 1.4177017  Molar Refractivity 33.1287 cm3
Polarizability 13.112529 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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