Basic information
- CAS
6972-41-4- Standard SMILES
CCN(CC)CCC(=O)O- InChIKey
DIOYEFVIHLBWJX-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- N,N-Diethyl-beta-alanine
- IUPAC
- 3-(diethylamino)propanoic acid
- English name
- 3-(Diethylamino)propanoic acid
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
N,N-Diethyl-beta-alanineDTXSID20989883RefChem:1090477DTXCID202008833-(diethylamino)propanoic acid6972-41-4beta-Alanine, N,N-diethyl-MFCD06208042Propionic acid, 3-(diethylamino)-NSC-619863-(diethylamino)propionic acid.beta.-Alanine, N,N-diethyl-
Show more names
RARECHEM AL BO 0310N,N-diethyl-β-alanineβ-Alanine, N,N-diethyl-3-(Diethylamino)propanoic acid ,97%3-(Diethylamino)propanoic Acid Discontinued See D442225(2s,4s)-2-(4-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
NSC619863-(DIETHYLAMINO)PROPANOICACID4QHY4QV3AB3-diethylaminopropionic acid.beta.-Alanine,N-diethyl-N,N-Diethyl-beta-alanine #Discontinued See D442225SCHEMBL105467
Database identifiers
- CAS
6972-41-4- PubChem CID
- 247454
- DTXSID
DTXSID20989883- UNII
- 4QHY4QV3AB
- Nikkaji
- J232.005C
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- Melting point
- 70 · 70-75 °C
- Boiling point
- 155 °C · 155 °C(Press: 0.2 Torr)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.14(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海马氏化学科技有限公司19916721580 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
苏州格瑞特医药技术有限公司0512-62384765 13701544574 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
11 records
Compound notes
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