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13375-29-6 molecular structure
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dicyclopropylmethanamine

ChemBase ID: 263742
Molecular Formular: C7H13N
Molecular Mass: 111.18482
Monoisotopic Mass: 111.10479942
SMILES and InChIs

SMILES:
C1(CC1)C(C1CC1)N
Canonical SMILES:
NC(C1CC1)C1CC1
InChI:
InChI=1S/C7H13N/c8-7(5-1-2-5)6-3-4-6/h5-7H,1-4,8H2
InChIKey:
GDGUATCKWWKTLM-UHFFFAOYSA-N

Cite this record

CBID:263742 http://www.chembase.cn/molecule-263742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclopropylmethanamine
IUPAC Traditional name
dicyclopropylmethanamine
Synonyms
dicyclopropylmethanamine
(dicyclopropylmethyl)amine
CAS Number
13375-29-6
MDL Number
MFCD06804453
PubChem SID
164319652
PubChem CID
83390

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83390 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0334065  LogD (pH = 7.4) -1.7871872 
Log P 0.9954628  Molar Refractivity 33.473 cm3
Polarizability 13.705201 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.062 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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