N,N-Diethylglycine

HCID 74151CAS 1606-01-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCN(CC)CC(=O)O
InChIKey: SGXDXUYKISDCAZ-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Names & identifiers

Preferred name: N,N-Diethylglycine
IUPAC: 2-(diethylamino)acetic acid

Names & synonyms

1606-01-5N,N-Diethylglycine2-(diethylamino)acetic acidGlycine, N,N-diethyl-N,N-diethylaminoacetic acid(Diethylamino)acetic acidUNII-GWC379GNX7GWC379GNX7Glycine N,N-diethyl-EINECS 216-520-8DTXSID30166941RefChem:161193

Show more names

DTXCID0089432216-520-8diethylglycineDiethylamino-acetic acidMFCD00461044Diethylaminoacetic acidN,N-diethyl-glycine2-(diethylamino)aceticacid

Database identifiers

CAS: 1606-01-5
PubChem CID: 74151
DTXSID: DTXSID30166941
ChEBI: CHEBI:80633
UNII: GWC379GNX7
EC Number: 216-520-8
Nikkaji: J80.257C

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 89

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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.