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Pharmaceutical Intermediates
N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE
CAS:
113825-05-1
MW:
229.34
MF:
C11H19NO2S
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE
1.2 Synonyms
2,2-bis(ethyloxy)-N-(2-thienylmethyl)ethanamine; 2,2-Diethoxy-N-(thiophen-2-ylMethyl)ethanaMine; 2-Thiophenemethanamine, N-(2,2-diethoxyethyl)-; N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE; N-(2,2-Diethyoxyethyl)-N-(2-thienylmethyl)amine; N-(THEN-2-YL)AMINO ACETALDEHYDE DIETHYL ACETAL;
1.3 CAS No.
113825-05-1
1.4 CID
2795396
1.5 Molecular Formula
C11H19NO2S
1.6 Inchi
InChI=1S/C11H19NO2S/c1-3-13-11(14-4-2)9-12-8-10-6-5-7-15-10/h5-7,11-12H,3-4,8-9H2,1-2H3
1.7 InChkey
YRCGLUZNPJCFOZ-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(CNCC1=CC=CS1)OCC
1.9 Isomers Smiles
CCOC(CNCC1=CC=CS1)OCC
2. Synthesis Route
113825-05-1
Total: 1 Synthesis Route
113825-04-0
113825-05-1
3 Suppliers
3. Precursor and Product
precursor:
113825-04-0
product:
59038-47-0
4. Computed Properties
Molecular Weight:
229.34g/mol
Molecular Formula:
C
11
H
19
NO
2
S
Compound Is Canonicalized:
True
Exact Mass:
1.6
XLogP3-AA:
229.11365002
Monoisotopic Mass:
229.11365002
Complexity:
152
Rotatable Bond Count:
8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
58.7
Heavy Atom Count::
15
Defined Atom Stereocenter Count:
0
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:
AAADceByMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQQAAAACAD10AeyCYLABAiEACBCAACDAIAgCBBIiJgIBIgaICKgkRGnAAhgkAC8iAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Toltal 3 Suppliers
View more
Shanghai Hope Chem Co., Ltd.
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Update Time:
2018/11/21
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Shanghai Yolne Chemical Co., Ltd
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Update Time:
2019/02/23
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Nanjing Biorgchem Co., Ltd.
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Update Time:
2014/01/21
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6. Realated Product Infomation
N-Methyl-(2-thienylmethyl)amine
cas:58255-18-8
(TETRAHYDROFURAN-2-YLMETHYL)(3-THIENYLMETHYL)AMINE
cas:892592-66-4
N-(3-thienylmethyl)pyridin-2-amine
cas:63449-91-2
(2-THIENYLMETHYL)((2,4,5-TRICHLOROPHENYL)SULFONYL)AMINE
cas:873675-36-6
N-(2-thienylmethyl)-1H-pyrazol-5-amine
cas:1374750-27-2
N-(3-Thienylmethyl)-2-Propen-1-Amine
cas:892592-88-0
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.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 3 Suppliers
6.
Realated Product Infomation
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