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DL-2-Benzylserine - ≥95%, high purity , CAS No.4740-47-0
Basic Description
Synonyms
DL-2-BENZYLSERINE | 2-amino-2-benzyl-3-hydroxypropanoic acid | 4740-47-0 | 51127-30-1 | alpha-benzyl-DL-serine | SCHEMBL366771 | DTXSID20370030 | ZMNNAJIBOJDHAF-UHFFFAOYSA-N | MFCD01863305 | 2-amino-2-benzyl-3-hydroxypropanoicacid | BP-12737 | CS-0269910 | EN300-7361943
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Amphetamines and derivatives Alpha amino acids Beta hydroxy acids and derivatives Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Alcohol - Organopnictogen compound - Primary alcohol - Amine - Primary amine - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-amino-2-benzyl-3-hydroxypropanoic acid
INCHI
InChI=1S/C10H13NO3/c11-10(7-12,9(13)14)6-8-4-2-1-3-5-8/h1-5,12H,6-7,11H2,(H,13,14)
InChIKey
ZMNNAJIBOJDHAF-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Isomeric SMILES
C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Molecular Weight
195.22
Reaxy-Rn
2724108
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2724108&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
195.210 g/mol
XLogP3
-2.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
195.09 Da
Monoisotopic Mass
195.09 Da
Topological Polar Surface Area
83.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
202.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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