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4-Aminoheptanedioic acid

HCID 487243
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Basic information

CAS
7766-85-0
Standard SMILES
NC(CCC(=O)O)CCC(=O)O
InChIKey
DMAJAXIBHLWSQM-UHFFFAOYSA-N
Molecular formula
C7H13NO4
Average molar mass
175.18 g/mol
Monoisotopic mass
175.0844579

Names & identifiers

Preferred name
4-Aminoheptanedioic acid
IUPAC
4-aminoheptanedioic acid
English name
Heptanedioic acid, 4-amino-
Molecular formula
C7H13NO4
Molecular weight
175.18

Names & synonyms

4-Aminoheptanedioic acid7766-85-04-Amino-1,5-pentandioic acid4-aminopimelic acid4-Aminoheptanedioicacid4-Aminoheptanedioic acid #Heptanedioic acid, 4-amino-SCHEMBL2890904-Amino-1,5-heptanedioic acidDMAJAXIBHLWSQM-UHFFFAOYSA-NDTXSID701367076MFCD18431288
Show more names
aminoheptanedioic acid
SY266761EN300-196491

Database identifiers

CAS
7766-85-0
PubChem CID
487243
DTXSID
DTXSID701367076

Properties

Computed structural properties

XLogP
-3.2
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
12
Formal charge
0
Complexity
151

Physicochemical properties

Melting point
190 °C · 190 °C
Boiling point
399.7 · 399.7±37.0 °C(Predicted)
Density
1.275 · 1.275±0.06 g/cm3(Predicted)
pka
4.03 · 4.03±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

dimethyl 4-nitroheptanedioateHeptanedioic acid, 4-nitro-4-Ketopimelic acid

Downstream products

5-Oxo-2-pyrrolidinepropanoic acidDiethyl pimelate

Suppliers4 total

杭州品高化工有限公司0571-87658025 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]

Related reactions

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Compound notes

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