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3-(2-Aminoethylamino)propane-1,2-diol

HCID 334402
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
60095-23-0
Standard SMILES
NCCNCC(O)CO
InChIKey
XNFWIOGJYCWFBP-UHFFFAOYSA-N
Molecular formula
C5H14N2O2
Average molar mass
134.18 g/mol
Monoisotopic mass
134.10552769

Names & identifiers

Preferred name
3-(2-Aminoethylamino)propane-1,2-diol
IUPAC
3-(2-aminoethylamino)propane-1,2-diol
English name
1,2-Propanediol, 3-((2-aminoethyl)amino)-
Molecular formula
C5H14N2O2
Molecular weight
134.17686

Names & synonyms

3-(2-aminoethylamino)propane-1,2-diolRefChem:490649616-325-160095-23-03-((2-Aminoethyl)amino)propane-1,2-diol1,2-Propanediol, 3-((2-aminoethyl)amino)-NSC339497MFCD24231065NSC 3394973-[(2-AMINOETHYL)AMINO]PROPANE-1,2-DIOL1,2-Propanediol, 3-[(2-aminoethyl)amino]-NSC-339497
Show more names
SCHEMBL1408867CHEMBL19647412,3-dihydroxypropylethylenediamineXNFWIOGJYCWFBP-UHFFFAOYSA-N3-(2-aminoethyl)aminopropane-1,2-diol3-(2-Aminoethyl)amino-1,2-propanediolN-(2,3-dihydroxypropyl) ethylenediamineBS-52824

Database identifiers

CAS
60095-23-0
PubChem CID
334402
ChEMBL
CHEMBL1964741
Nikkaji
J1.969.905F

Properties

Computed structural properties

XLogP
-2.4
Topological polar surface area
78.5 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
9
Formal charge
0
Complexity
60.9

Physicochemical properties

Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
501 · P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Safety & regulation

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

Safety data

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Chemistry & industry

Suppliers8 total

杭州品高化工有限公司0571-87658025 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]

Related reactions

2 records
New reaction record
HRID 1613020 reaction equation
HRID 1613020As productuspto-grants-1993_03
HRID 2312497 reaction equation
HRID 2312497As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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