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650579-38-7 molecular structure
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tert-butyl (2S)-2-(chloromethyl)morpholine-4-carboxylate

ChemBase ID: 813800
Molecular Formular: C10H18ClNO3
Molecular Mass: 235.70782
Monoisotopic Mass: 235.09752112
SMILES and InChIs

SMILES:
C1[C@H](OCCN1C(=O)OC(C)(C)C)CCl
Canonical SMILES:
ClC[C@H]1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H18ClNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey:
LKTUWBGNUYXETD-MRVPVSSYSA-N

Cite this record

CBID:813800 http://www.chembase.cn/molecule-813800.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S)-2-(chloromethyl)morpholine-4-carboxylate
IUPAC Traditional name
tert-butyl (2S)-2-(chloromethyl)morpholine-4-carboxylate
Synonyms
(S)-tert-butyl 2-(chloromethyl)morpholine-4-carboxylate
CAS Number
650579-38-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35889 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35889 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.596071  LogD (pH = 7.4) 1.596071 
Log P 1.596071  Molar Refractivity 57.7765 cm3
Polarizability 22.925707 Å3 Polar Surface Area 38.77 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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