Cas no 120328-90-7 (DL-Alanine, N-(phenylmethylene)-, methyl ester, (E)-)
120328-90-7 structure
Product Name:DL-Alanine, N-(phenylmethylene)-, methyl ester, (E)-
CAS No:120328-90-7
MF:C11H13NO2
MW:191.226423025131
CID:1210351
PubChem ID:583372
Update Time:2025-04-20
DL-Alanine, N-(phenylmethylene)-, methyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- DL-Alanine, N-(phenylmethylene)-, methyl ester, (E)-
- 2-(Benzylidene-amino)-propionic acid methyl ester
- METHYL 2-([(E)-PHENYLMETHYLIDENE]AMINO)PROPANOATE
- methyl 2-[((E)-phenylmethylidene)-amino]-propanoate
- methyl 2-(1-phenylmethylidene)aminopropionate
- methyl 2-[(E)-(phenylmethylidene)amino]propanoate
- N-benzylidene-d,l-alanine methyl ester
- 2-(Benzylideneamino)-Propionic Acid Methyl Ester
- KFRXBPMQYDULFE-UHFFFAOYSA-N
- MLS000720740
- HMS2740O09
- 53933-42-9
- methyl 2-(benzyli-deneamino)propanoate
- AKOS005091708
- methyl 2-(benzylideneamino)propanoate
- methyl 2-{[(E)-phenylmethylidene]amino}propanoate
- SMR000336733
- 120328-90-7
- 4X-0893
- SCHEMBL1962034
- CHEMBL1994279
- SCHEMBL13201409
-
- Inchi： 1S/C11H13NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8+
- InChI Key： KFRXBPMQYDULFE-XYOKQWHBSA-N
- SMILES： O(C)C(C(C)/N=C/C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 191.09469
- Monoisotopic Mass: 191.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
DL-Alanine, N-(phenylmethylene)-, methyl ester, (E)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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