3-[(2-Hydroxyethyl)amino]propane-1,2-diol

HCID 15034945CAS 20829-81-6

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Basic information

Standard SMILES: OCCNCC(O)CO
InChIKey: WDMIBBXCJKNKPN-UHFFFAOYSA-N
Molecular formula: C5H13NO3
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.08954328

Names & identifiers

Preferred name: 3-[(2-Hydroxyethyl)amino]propane-1,2-diol
IUPAC: 3-(2-hydroxyethylamino)propane-1,2-diol

Names & synonyms

3-[(2-hydroxyethyl)amino]propane-1,2-diol3-[(2-Hydroxyethyl)amino]-1,2-propanediol3-((2-hydroxyethyl)amino)propane-1,2-diol3-((2-Hydroxyethyl)amino)-1,2-propanediolRefChem:488289976-259-720829-81-63-(2-Hydroxyethylamino)propane-1,2-diol1,2-Propanediol, 3-[(2-hydroxyethyl)amino]-SCHEMBL2231452SCHEMBL7777469SCHEMBL9161698

Show more names

WDMIBBXCJKNKPN-UHFFFAOYSA-NDTXSID601270779AKOS008926207N-(Hydroxyethyl)-Amino-2,3-propanediol3-(N-2-hydroxyethyl)amino-1,2-propanediol3-(N-2-hydroxyethyl)amino-1, 2-propanediolEN300-256177F340564

Database identifiers

CAS: 20829-81-6
PubChem CID: 15034945
DTXSID: DTXSID601270779
EC Number: 976-259-7
Nikkaji: J2.933.549D

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 72.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 60

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.