4-Morpholinebutanoic acid

HCID 79872

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Basic information

CAS: 5807-09-0
Standard SMILES: O=C(O)CCCN1CCOCC1
InChIKey: PNHMBKXVXNJADT-UHFFFAOYSA-N
Molecular formula: C8H15NO3
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.10519334

Names & identifiers

Preferred name: 4-Morpholinebutanoic acid
IUPAC: 4-morpholin-4-ylbutanoic acid
English name: 4-morpholin-4-ylbutanoic acid
Molecular formula: C8H15NO3
Molecular weight: 173.21

Names & synonyms

5807-09-04-Morpholinebutanoic acid4-Morpholinebutyric acidgamma-Morpholinobutyric acidDF 533BRN 07759044-Morpholinebutanoic acid (9CI)DTXSID50206792RefChem:99978DTXCID801292834-Morpholinobutanoic acid4-morpholin-4-ylbutanoic acid

Show more names

DF-5334-morpholin-4-ylbutanoicaci4-Morpholinobutanoicacid.Hcl4-Morpholinobutanoic acid hydrochloride4-morpholin-4-ylbutanoic acid(SALTDATA: HCl)

4-(morpholin-4-yl)butanoic acidMFCD017140534-(4-morpholinyl)butanoic acid4-morpholinebutanoic acid hydrochloride4-Morpholinebutanoicacid4-morpholin-4-ylbutanoic acid (may contain up to 10% of inorganics)4-Morpholinobutanoicacid4-morpholinobutyric acid

Database identifiers

CAS: 5807-09-0
PubChem CID: 79872
DTXSID: DTXSID50206792
Nikkaji: J41.773D

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Boiling point: 323.7 · 323.7±27.0 °C(Predicted)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 4.41 · 4.41±0.10(Predicted)
form: Solid
color: Light Yellow to Yellow
InChI: 1S/C8H15NO3/c10-8(11)2-1-3-9-4-6-12-7-5-9/h1-7H2,(H,10,11)
InChIKey: PNHMBKXVXNJADT-UHFFFAOYSA-N
SMILES: OC(=O)CCCN1CCOCC1
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
WGK Germany: 3 · WGK 3
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501