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14002-08-5 molecular structure
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(cyclohexylmethyl)(ethyl)amine

ChemBase ID: 308023
Molecular Formular: C9H19N
Molecular Mass: 141.25386
Monoisotopic Mass: 141.15174961
SMILES and InChIs

SMILES:
N(CC1CCCCC1)CC
Canonical SMILES:
CCNCC1CCCCC1
InChI:
InChI=1S/C9H19N/c1-2-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKey:
XQWSLHIYGMOJHI-UHFFFAOYSA-N

Cite this record

CBID:308023 http://www.chembase.cn/molecule-308023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cyclohexylmethyl)(ethyl)amine
IUPAC Traditional name
(cyclohexylmethyl)(ethyl)amine
Synonyms
(cyclohexylmethyl)ethylamine
CAS Number
14002-08-5
MDL Number
MFCD08756353

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4026987 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9595672  LogD (pH = 7.4) -0.7135733 
Log P 2.2782128  Molar Refractivity 45.187 cm3
Polarizability 18.13941 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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