Dimethyl 3-aminopentanedioate

HCID 253304

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Basic information

CAS: 77313-09-8
Standard SMILES: COC(=O)CC(N)CC(=O)OC
InChIKey: PXJFLUYRGQUUIN-UHFFFAOYSA-N
Molecular formula: C7H13NO4
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.0844579

Overview

See also: 3-Aminoglutaric acid, dimethyl ester (annotation moved to).

Names & identifiers

Preferred name: Dimethyl 3-aminopentanedioate
IUPAC: dimethyl 3-aminopentanedioate
English name: diMethyl 3-aMinopentanedioate
Molecular formula: C7H13NO4
Molecular weight: 175.18

Names & synonyms

dimethyl 3-aminopentanedioate77313-09-81,5-DIMETHYL 3-AMINOPENTANEDIOATE3-amino-pentanedioic acid dimethyl esterDimethyl3-aminopentanedioate3-aminoglutaric acid dimethyl esterNSC76075dimethyl-3-aminoglutaratePentanedioic acid, 3-amino-, dimethyl esterSCHEMBL2589071dimethyl (+/-)3-aminoglutarateDTXSID40291511

Show more names

diMethyl 3-aMinopentanedioate TFAPentanedioic acid, 3-amino-, 1,5-dimethyl ester

PXJFLUYRGQUUIN-UHFFFAOYSA-NMFCD00154529NSC-76075AKOS016009059AS-59892DA-02894EN300-92917F19900

Database identifiers

CAS: 77313-09-8
PubChem CID: 253304
DTXSID: DTXSID40291511

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 110 · 110-112 °C(Press: 3 Torr)
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 6.75 · 6.75±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338