3-(Diethylamino)-1,2-propanediol

HCID 79074

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Basic information

CAS: 621-56-7
Standard SMILES: CCN(CC)CC(O)CO
InChIKey: LTACQVCHVAUOKN-UHFFFAOYSA-N
Molecular formula: C7H17NO2
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.12592879

Names & identifiers

Preferred name: 3-(Diethylamino)-1,2-propanediol
IUPAC: 3-(diethylamino)propane-1,2-diol
English name: 3-(Diethylamino)-1,2-propanediol
Molecular formula: C7H17NO2
Molecular weight: 147.22

Names & synonyms

3-(Diethylamino)-1,2-propanediol621-56-73-(Diethylamino)propane-1,2-diol1,2-Propanediol, 3-(diethylamino)-DTXSID20862309EINECS 210-693-3NSC 97206RefChem:494829DTXCID208110941,2Propanediol, 3(diethylamino)210-693-33-Diethylamino-1,2-propanediol

Show more names

N,N-Diethylglycerylamine3-diethylamino-1,2-propandiolDIETHYLAMINOPROPANEDIOL3-DIETHYLAMINOPROPANEDIOL-1,23-DIETHYLAMINOPROPANE-1,2-DIOL3-(diethylamino)-2-propanediol3-Diethylaminopropylene glycol3-(Diethylamino)propan-1,2-diol2-Propanediol,3-(diethylamino)-1

3-(Diethylamino)-12-propanediolNSC97206MFCD00004716SCHEMBL135129LTACQVCHVAUOKN-UHFFFAOYSA-NSC-97206AKOS005206948CS-0197327

Database identifiers

CAS: 621-56-7
PubChem CID: 79074
DTXSID: DTXSID20862309
EC Number: 210-693-3
Nikkaji: J43.150H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 74

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionClear light yellow liquid; [Acros Organics MSDS]

Physicochemical properties

Melting point: -30 °C · -30 °C
Boiling point: 233 · 233-235 °C(lit.)
Density: 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4602(lit.)
Flash point: 226 °F · 226 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 14 · 14.00±0.20(Predicted)
Specific Gravity: 0.98 · 0.98
color: Colorless to Light yellow
Water Solubility: miscible

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (91.2%): 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 68 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Propanediol, 3-(diethylamino)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,2-Propanediol, 3-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySensitive to moisture; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (91.2%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

wgk: 2
tsca: TSCA listed
ridadr: 2735
hs_code: 29221980
risk_code: 36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Propanediol, 3-(diethylamino)-: ACTIVE

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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Compound notes

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