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1257850-88-6 molecular structure
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tert-butyl N-[(3S)-morpholin-3-ylmethyl]carbamate

ChemBase ID: 287677
Molecular Formular: C10H20N2O3
Molecular Mass: 216.2774
Monoisotopic Mass: 216.14739251
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)NC[C@@H]1NCCOC1
Canonical SMILES:
O=C(OC(C)(C)C)NC[C@@H]1NCCOC1
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-8-7-14-5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKey:
OTGAMPLHQAGRIU-QMMMGPOBSA-N

Cite this record

CBID:287677 http://www.chembase.cn/molecule-287677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3S)-morpholin-3-ylmethyl]carbamate
IUPAC Traditional name
tert-butyl N-[(3S)-morpholin-3-ylmethyl]carbamate
Synonyms
(S)-tert-Butyl (morpholin-3-ylmethyl)carbamate
CAS Number
1257850-88-6
MDL Number
MFCD17010138
PubChem SID
180673208
PubChem CID
44182328

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD159971 Please log in.
Data Source Data ID
PubChem 44182328 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.014676  H Acceptors
H Donor LogD (pH = 5.5) -1.859943 
LogD (pH = 7.4) -0.16108109  Log P 0.34350172 
Molar Refractivity 56.2609 cm3 Polarizability 22.572815 Å3
Polar Surface Area 59.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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