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1017793-23-5 molecular structure
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tert-butyl N-[5-(aminomethyl)pyridin-3-yl]carbamate

ChemBase ID: 815444
Molecular Formular: C11H17N3O2
Molecular Mass: 223.27158
Monoisotopic Mass: 223.1320768
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)c1cncc(c1)CN
Canonical SMILES:
NCc1cncc(c1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-4-8(5-12)6-13-7-9/h4,6-7H,5,12H2,1-3H3,(H,14,15)
InChIKey:
OTXAUSMKLLZKEW-UHFFFAOYSA-N

Cite this record

CBID:815444 http://www.chembase.cn/molecule-815444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[5-(aminomethyl)pyridin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[5-(aminomethyl)pyridin-3-yl]carbamate
Synonyms
tert-butyl 5-(aminomethyl)pyridin-3-ylcarbamate
CAS Number
1017793-23-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37747 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37747 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.296481  H Acceptors
H Donor LogD (pH = 5.5) -2.1298525 
LogD (pH = 7.4) -0.86600906  Log P 0.79230297 
Molar Refractivity 62.6667 cm3 Polarizability 23.89527 Å3
Polar Surface Area 77.24 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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