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1158758-85-0 molecular structure
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tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

ChemBase ID: 310042
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
N1(C(=O)OC(C)(C)C)CC(C1)(CN)C
Canonical SMILES:
NCC1(C)CN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3
InChIKey:
NUSZXESXGDKVCH-UHFFFAOYSA-N

Cite this record

CBID:310042 http://www.chembase.cn/molecule-310042.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
Synonyms
tert-butyl 3-(aminomethyl)-3-methyl-1-azetidinecarboxylate
CAS Number
1158758-85-0

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4046397 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) -2.4192023  LogD (pH = 7.4) -1.4354056 
Log P 0.56277156  Molar Refractivity 54.7764 cm3
Polarizability 21.854008 Å3 Polar Surface Area 55.56 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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