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CAS 1887197-42-3

Chemistry, 2 End Use API, 50 Related Intermediates

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Also known as: 1887197-42-3, Oxalic acid;n-[[(2s,3s)-2-phenylmethoxypentan-3-yl]amino]formamide, N'-((2s,3s)-2-(benzyloxy)pentan-3-yl)formohydrazideoxalate, Mfcd29044917, Akos025404750, Ds-8735

Molecular Formula

C₁₅H₂₂N₂O₆

Molecular Weight

326.34 g/mol

InChI Key

NHBNQZOZYCCDJW-JZKFLRDJSA-N

1 2D Structure

CAS 1887197-42-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxalic acid;N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide

2.1.2 InChI

InChI=1S/C13H20N2O2.C2H2O4/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12;3-1(4)2(5)6/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t11-,13-;/m0./s1

2.1.3 InChI Key

NHBNQZOZYCCDJW-JZKFLRDJSA-N

2.1.4 Canonical SMILES

CCC(C(C)OCC1=CC=CC=C1)NNC=O.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC=O.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1887197-42-3

2. Oxalic Acid;n-[[(2s,3s)-2-phenylmethoxypentan-3-yl]amino]formamide

3. N'-((2s,3s)-2-(benzyloxy)pentan-3-yl)formohydrazideoxalate

4. Mfcd29044917

5. Akos025404750

6. Ds-8735

7. C73615

8. A912519

2.3 Create Date

2015-11-10

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂N₂O₆
Molecular Weight	326.34 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	326.14778643 g/mol
Monoisotopic Mass	326.14778643 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

149809-43-8

End Use API

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.