6-[6-(6-Aminohexanamido)hexanamido]hexanoic acid
Basic information
- CAS
5776-78-3- Standard SMILES
NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O- InChIKey
JOIUZBTWMAYEQW-UHFFFAOYSA-N- Molecular formula
- C18H35N3O4
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.26275661
Names & identifiers
- Preferred name
- 6-[6-(6-Aminohexanamido)hexanamido]hexanoic acid
- IUPAC
- 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic acid
- English name
- Hexanoicacid,6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-
- Molecular formula
- C18H35N3O4
- Molecular weight
- 357.49
Names & synonyms
6-(6-(6-aminohexanamido)hexanamido)hexanoic acid6-[6-(6-AMINOHEXANAMIDO)HEXANAMIDO]HEXANOIC ACIDRefChem:539478851-454-95776-78-3Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic AcidMFCD28899021Aminocaproic Acid Impurity CHEXANOICACID,6-[[6-[(6-AMINO-1-OXOHEXYL)AMINO]-1-OXOHEXYL]AMINO]-6-aminohexanoic acid trimer6-[[6-[(6-Amino-1-oxohexyl)amino]-1-oxohexyl]amino]hexanoic Acid 6-Aminocaproic Acid Trimer 6-Aminohexanoic Acid Trimer Caprolactam Trimer Tris-a-aminocaproic Acid
Show more names
Aminocaproic Acid TrimeAminocaproic Acid TrimerAminocaproic Acid Trimer ImpurityAminocaproic Acid Impurity 2（Aminocaproic Acid Trimer）6-({6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl}amino)hexanoic acid
SCHEMBL28537542DTXSID60429490FAA77678AS-94032NS00112902EN300-624304F769156-(6-(6-aminohexanamido)hexanamido)hexanoicacid
Database identifiers
- CAS
5776-78-3- PubChem CID
- 9543385
- DTXSID
DTXSID60429490- EC Number
- 851-454-9
- Nikkaji
- J2.146.653K
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 659.8 · 659.8±50.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Aqueous Acid (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 4.75 · 4.75±0.10(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
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
Warning
H315 (100%): 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 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses6-(6-(6-Aminohexanamido)hexanamido)hexanoic Acid is used in the making of a preconjugate which serves as immunoreactive conjugate useful as a developer antigen in a competitive inhibition immunoassay for the polymorphic analyte. Also used in the efficient synthesis of a heterobifunctional coupling agent.
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Compound notes
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