CAS 16115-80-3 Dimethyl aminomalonate hydrochloride (HCID 437601)

Names & identifiers

Preferred name: Dimethyl aminomalonate hydrochloride
IUPAC: dimethyl 2-aminopropanedioate
English name: Dimethyl aminomalonate hydrochloride
Molecular formula: C5H10ClNO4
Molecular weight: 183.59

Names & synonyms

Dimethyl aminomalonate HClEINECS 240-284-5NSC 522525RefChem:338663240-284-516115-80-3Dimethyl aminomalonate hydrochloridedimethyl 2-aminomalonate53704-09-9dimethyl 2-aminopropanedioateDimethyl AminomalonateMFCD00829425

Show more names

2-AminomalonicaciddimethylesterHClDiMethyl 2-aMinoMalonate hydrochlorideDiMethyl aMinoMalonate hydrochloride 97%DIMETHYL AMINOMALONATE HYDROCHLORIDE, 97 %aminomalonic acid dimethyl ester hydrochlorideDimethyl 2-aminopropane-1,3-dioate hydrochloridePropanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)

DIMETHYL 2-AMINOMALONATE, TECHDimethyl 2-aminomalonate (H-DL-Gly(CO2Me)-OMe)2-Aminomalonic acid dimethyl ester hydrochlorideSCHEMBL279148SCHEMBL7325444MHDFJESNGMDHQD-UHFFFAOYSA-Ndimethyl 2-aminopropane-1,3-dioateSBB054110

Database identifiers

CAS: 16115-80-3
PubChem CID: 437601
EC Number: 240-284-5
Nikkaji: J281.607E

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 160 °C · 160 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: 25 mg/mL, · water: soluble25mg/mL, clear, colorless to faintly yellow
form: Crystals or Crystalline Powder
color: Light yellow
Water Solubility: 25 mg/mL, · water: soluble 25mg/mL, clear, colorless to faintly yellow
BRN: 3696467 · 3696467
InChI: 1S/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H
InChIKey: QWNDKNJSEWOEDM-UHFFFAOYSA-N
SMILES: Cl[H].COC(=O)C(N)C(=O)OC
CAS DataBase Reference: 16115 · 16115-80-3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29224999 · 29224999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29224999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesDimethyl aminomalonate hydrochloride (aminomalonic acid dimethyl ester hydrochloride) may be used in synthesis of methyl 3-phenyl-5-hydantoincarboxylate and Boc-Leu-Ama(OMe)2(Boc= tert-butyloxycarbonyl, Leu= leucine, Ama= aminomalonic acid). It may be used as starting reagent in the synthesis of the following:(R,S)-2-phenethylcysteine hydrochloridedimethyl 2,2,2-polynitroalkylnitroaminonitromalonatespirotryprostatin B

General DescriptionDimethyl aminomalonate hydrochloride is a hydrochloride salt of a dialkyl aminomalonate.