Isoserine

HCID 11267CAS 565-71-9

Substructure search Find similar structures

Basic information

Standard SMILES: NCC(O)C(=O)O
InChIKey: BMYNFMYTOJXKLE-UHFFFAOYSA-N
Molecular formula: C3H7NO3
Average molar mass: 105.09 g/mol
Monoisotopic mass: 105.04259309

Names & identifiers

Preferred name: Isoserine
IUPAC: 3-amino-2-hydroxypropanoic acid
English name: DL-ISOSERINE
Molecular formula: C3H7NO3
Molecular weight: 105.09

Names & synonyms

565-71-9ISOSERINE2-Hydroxy-3-aminopropanoic acidRefChem:792331dl-Isoserine3-amino-2-hydroxypropanoic acid632-12-2Propanoic acid, 3-amino-2-hydroxy-H-DL-ISOSER-OH3-Amino-2-hydroxypropionic acidMFCD00008138U7LTG62FEW

Show more names

H-DL-ISE-OH3-AMINOLACTIC ACID2-HYDROXY-B-ALANINEDL-3-Aminolactic acidDL-2-Hydroxy-β-alanine2-HYDROXY-BETA-ALANINEDL-2-HYDROXY-3-AMINOPROPIONIC ACID(R,S)-3-AMINO-2-HYDROXYPROPIONIC ACID

2-Hydroxy-.beta.-alanine(DL)-IsoserineCHEMBL4798809H-DL-beta-Amino-alpha-hydroxypropionic acid(RS)-isoserineIsoserine, DL-(2R)-3-Amino-2-hydroxy-propanoic acidDL-3-Amino-2-hydroxypropionic Acid

Database identifiers

CAS: 565-71-9、632-12-2
PubChem CID: 11267
DTXSID: DTXSID70870737
ChEMBL: CHEMBL4798809
UNII: U7LTG62FEW
EC Number: 815-213-1、918-962-3
Nikkaji: J11.546K

Properties

Computed structural properties

XLogP: -4
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 72

Physicochemical properties

Melting point: 235 °C · 235 °C (dec.)(lit.)
Boiling point: 197.09 °C · 197.09°C (rough estimate)
Density: 1.3895 · 1.3895 (rough estimate)
refractive index: 1.4368 · 1.4368 (estimate)
storage temp.: -15 °C · -15°C
Water Solubility: 15.3 g/L · 15.3g/L(20 ºC)
CAS DataBase Reference: 632 · 632-12-2
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.