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374554-26-4 molecular structure
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benzyl N-[(3-aminophenyl)methyl]carbamate

ChemBase ID: 800948
Molecular Formular: C15H16N2O2
Molecular Mass: 256.29974
Monoisotopic Mass: 256.12117776
SMILES and InChIs

SMILES:
N(C(=O)OCc1ccccc1)Cc1cc(ccc1)N
Canonical SMILES:
O=C(NCc1cccc(c1)N)OCc1ccccc1
InChI:
InChI=1S/C15H16N2O2/c16-14-8-4-7-13(9-14)10-17-15(18)19-11-12-5-2-1-3-6-12/h1-9H,10-11,16H2,(H,17,18)
InChIKey:
ODFMBKSFAAEDJV-UHFFFAOYSA-N

Cite this record

CBID:800948 http://www.chembase.cn/molecule-800948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-[(3-aminophenyl)methyl]carbamate
IUPAC Traditional name
benzyl N-[(3-aminophenyl)methyl]carbamate
Synonyms
(3-Amino-benzyl)-carbamic acid benzyl ester
CAS Number
374554-26-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17109 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17109 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.681514  H Acceptors
H Donor LogD (pH = 5.5) 2.4150174 
LogD (pH = 7.4) 2.432472  Log P 2.4326992 
Molar Refractivity 74.9118 cm3 Polarizability 28.480225 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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