CAS 6300-04-5 3-(Dimethylamino)propanoic acid (HCID 239828)

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Basic information

CAS: 6300-04-5
Standard SMILES: CN(C)CCC(=O)O
InChIKey: JMOXSQYGVIXBBZ-UHFFFAOYSA-N
Molecular formula: C5H11NO2
Average molar mass: 117.15 g/mol
Monoisotopic mass: 117.07897859

Names & identifiers

Preferred name: 3-(Dimethylamino)propanoic acid
IUPAC: 3-(dimethylamino)propanoic acid
English name: 3-(Dimethylamino)propanoicacid
Molecular formula: C5H11NO2
Molecular weight: 117.15

Names & synonyms

3-(dimethylamino)propanoic acid6300-04-5DTXSID40286407RefChem:495072DTXCID40203957N,N-dimethyl-beta-alanine3-(Dimethylamino)propanoicacid3-(Dimethylamino)propionic acid3-DIMETHYLAMINOPROPIONIC ACIDMFCD004822343-(N,N-Dimethylamino)propionic acid3-dimethylaminopropanoic acid

Show more names

SKL485NSC 73153NSC 45506β-Alanine, N,N-dimethyl-b-Alanine, N,N-diMethyl-beta.-Alanine,N,N-dimethylN,N-dimethyl-.beta.-Alanine3-(dimethylamino)propanoicaci

3-dimethylamino-propionic aciddimethyl-b-alanineNSC73153N,N-Dimethyl-b-alanineN,N-dimethyl beta-alanineNCIOpen2_000360SCHEMBL1038743-dimethylamino propionic acid

Database identifiers

CAS: 6300-04-5
PubChem CID: 239828
DTXSID: DTXSID40286407
ChEBI: CHEBI:138668
EC Number: 641-109-9
Nikkaji: J1.218.411E

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 80

Physicochemical properties

Melting point: 143 · 143-146℃
Boiling point: 140 · 140-142 °C(Press: 0.15 Torr)
Density: 1.037 · 1.037
storage temp.: Store at room temperature
pka: 3.67 · 3.67±0.14(Predicted)
form: solid
Appearance: Colorless to light yellow Solid-liquid mixture
InChI: InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey: JMOXSQYGVIXBBZ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCN(C)C
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 5 of 5 reports by companies.；There are 0 notifications provided by 0 of 5 reports by companies with hazard statement code(s).；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.