3-Morpholinecarboxylic acid

HCID 3340152

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Basic information

CAS: 77873-76-8
Standard SMILES: O=C(O)C1COCCN1
InChIKey: JUNOWSHJELIDQP-UHFFFAOYSA-N
Molecular formula: C5H9NO3
Average molar mass: 131.13 g/mol
Monoisotopic mass: 131.05824315

Names & identifiers

Preferred name: 3-Morpholinecarboxylic acid
IUPAC: morpholine-3-carboxylic acid
English name: 3-Morpholinecarboxylic acid
Molecular formula: C5H9NO3
Molecular weight: 131.13

Names & synonyms

3-Morpholinecarboxylic acidRefChem:504379800-534-1Morpholine-3-carboxylic Acid77873-76-83-Morpholine carboxylic acidMFCD013186493-Morpholinecarboxylicacid3-Morpholinecarboxlic acid3-morphline carboxylic acidSCHEMBL40204SCHEMBL2228924

Show more names

Morpholine-3-carboxylic acid - [M15336]3-Morpholinecarboxylic acid (6CI, 9CI, ACI)

DTXSID00391607JUNOWSHJELIDQP-UHFFFAOYSA-NALBB-0341013-Morpholinecarboxylicacid(6CI,9CI)AKOS013154491AC-3147CS-W001894PB12912

Database identifiers

CAS: 77873-76-8
PubChem CID: 3340152
DTXSID: DTXSID00391607
EC Number: 800-534-1

Properties

Computed structural properties

XLogP: -3.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 245 · 245-250℃
Boiling point: 298.5 · 298.5±35.0 °C(Predicted)
Density: 1.239 · 1.239±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.11 · 2.11±0.20(Predicted)
form: Powder
color: White
CAS DataBase Reference: 77873 · 77873-76-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 22 · 22
HazardClass: 6.1 · 6.1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.