CAS 27025-25-8 Dimethyl D-glutamate hydrochloride (HCID 12917567)

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Basic information

CAS: 27025-25-8
Standard SMILES: COC(=O)CC[C@@H](N)C(=O)OC.Cl
InChIKey: MFUPLHQOVIUESQ-NUBCRITNSA-N
Molecular formula: C7H14ClNO4
Average molar mass: 211.64 g/mol
Monoisotopic mass: 211.0611356

Names & identifiers

Preferred name: Dimethyl D-glutamate hydrochloride
IUPAC: dimethyl (2R)-2-aminopentanedioate;hydrochloride
English name: H-D-Glu(OMe)-OMe HCl
Molecular formula: C7H14ClNO4
Molecular weight: 211.64

Names & synonyms

27025-25-8Dimethyl D-Glutamate HydrochlorideUNII-1JDM33EYGHD-Glutamic acid, dimethyl ester, hydrochloride1JDM33EYGHGlutamic acid, dimethyl ester, hydrochloride, D-D-Glutamic acid, 1,5-dimethyl ester, hydrochloride (1:1)RefChem:134233H-D-Glu(OMe)-OMe.HClH-D-GLU(OME)-OME HCL(R)-Dimethyl 2-aminopentanedioate hydrochlorideMFCD00235872

Show more names

Dimethyl DD-Glu.2OMe.HClD-Glu(ome)2·HClD-Glu(OMe)-OMe.HClH-D-Glu(OMe)-OMeClH-D-GLU(OME)-OME HCH-D-Glu(Me)-OMe*HClD-GLUTAMIC ACID(OME)-OME HCLH-D-Glu(OMe)OMe hydrochloride

D-Glutamic Acid 1,5-Dimethyl Ester Hydrochloridedimethyl (2R)-2-aminopentanedioate;hydrochlorideD-Glutamic Acid Dimethyl Ester HydrochlorideDimethyl D-glutamate HClH-D-Glu(ome)-ome hydrochloride(R)-DIMETHYL 2-AMINOPENTANEDIOATE HCLD-Glutamic acid dimethyl ester HClAKOS015900668

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 143 °C · 143 °C
refractive index: -26 ° · -26.0 ° (C=2, MeOH)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO, Methanol, Water
form: Solid
color: White
Sensitive: Hygroscopic
FDA UNII: 1 JDM33EYGH · 1JDM33EYGH
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2920907090 · 2920907090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H240 (33.3%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

Safety data

hs_code: 2920907090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesD-Glutamic Acid 1,5-Dimethyl Ester Hydrochloride, is a diester analogue of D-Glutamic Acid (G596965), a non-essential amino acid. It can also be used for the synthesis of more complex pharmaceutical compounds.