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(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE
CAS:
72952-75-1
MW:
173.212g/mol
MF:
C8H15NO3
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE
1.2 Synonyms
(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE; 1,3-Dioxolane, 4-ethyl-2,2-dimethyl-, (S)- (9CI);
1.3 CAS No.
72952-75-1
1.4 CID
53471245
1.5 Molecular Formula
C8H15NO3
1.6 Inchi
InChI=1S/C8H15NO3/c1-6(10)9-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1
1.7 InChkey
WAUMPQINBDMEJH-ZETCQYMHSA-N
1.8 Canonical Smiles
CC(=O)NCC1COC(O1)(C)C
1.9 Isomers Smiles
CC(=O)NC[C@H]1COC(O1)(C)C
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. Synthesis Route
72952-75-1
Total: 3 Synthesis Route
1707-77-3
173 Suppliers
72952-75-1
2 Suppliers
67-64-1
584-03-2
45 Suppliers
152898-81-2
72952-75-1
2 Suppliers
4. Precursor and Product
precursor:
584-03-2
23788-74-1
917-54-4
1707-77-3
5. Computed Properties
Molecular Weight:
173.212g/molg/mol
Molecular Formula:
C
8
H
15
NO
3
Compound Is Canonicalized:
True
Exact Mass:
-0.2
XLogP3-AA:
173.10519334
Monoisotopic Mass:
173.10519334
Complexity:
179
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
47.6
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACBThgAYCCALABAAIAAEQEAAAAAAAAAAAAIAIAAATAAAAAAAnAAACFgCWAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 2 Suppliers
View more
ChemContract Research Inc.
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Update Time:
2019/11/25
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Paragos
Tel:
Update Time:
2019/11/25
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7. Realated Product Infomation
2,6-DIMETHYL(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898785-37-0
2,2-DIMETHYL-1,3-DIOXOLAN-4-YLMETHYL P-TOLUENESULFONATE
cas:7305-59-1
2,5-DIMETHYL-1-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898759-36-9
3,4-DIMETHYL-1-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898759-39-2
(R)-(-)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YLMETHYL P-TOLUENESULFONATE
cas:23788-74-1
ACETAMIDE,2,2-DICHLORO-N-(1,3-DIOXOLAN-2-YLMETHYL)-N-2-ALLYL-
cas:79660-25-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Toltal 2 Suppliers
7.
Realated Product Infomation
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