6-Acrylamidohexanoic Acid

HCID 324200

Notes Reactions

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Basic information

CAS: 20766-85-2
Standard SMILES: C=CC(=O)NCCCCCC(=O)O
InChIKey: SAQWCPXBLNGTCC-UHFFFAOYSA-N
Molecular formula: C9H15NO3
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.10519334

Names & identifiers

Preferred name: 6-Acrylamidohexanoic Acid
IUPAC: 6-(prop-2-enoylamino)hexanoic acid
English name: 6-Acrylamidohexanoic acid
Molecular formula: C9H15NO3
Molecular weight: 185.22

Names & synonyms

6-Acrylamidohexanoic AcidDTXSID60314796RefChem:540033DTXCID40265919677-101-720766-85-26-(prop-2-enoylamino)hexanoic acidMFCD06804452Hexanoic acid, 6-[(1-oxo-2-propen-1-yl)amino]-6-(PROP-2-ENAMIDO)HEXANOIC ACIDNSC288649SCHEMBL707155

Show more names

6-Acrylamidohexanoicaci6-Acrylamidohexanoic Acid >6-(ACRYLOYLAMINO)HEXANOIC ACID6-(prop-2-enoylamino)hexanoicaci6-propyleneacylaminohexanoic acid6-[(1-oxo-2-propen-1-yl)amino]Hexanoic acid

N-Acryloyl-6-aminocaproic Acid6-Acrylamidohexanoic Acid, 98%AKOS000189719CS-0158038T705486-ACRYLAMIDOHEXANOICACID6-acryloylaminocaproic Acid6-acryloylamino-hexanoic acid

Database identifiers

CAS: 20766-85-2
PubChem CID: 324200
DTXSID: DTXSID60314796
EC Number: 677-101-7
Nikkaji: J800.237A

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Physicochemical properties

Melting point: 89 °C · 89 °C
Boiling point: 417.5 · 417.5±37.0 °C(Predicted)
Density: 1.072 · 1.072±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: 4.75 · 4.75±0.10(Predicted)
color: White to Almost white
Stability: Light Sensitive
InChI: InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)
InChIKey: SAQWCPXBLNGTCC-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCNC(=O)C=C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2924.19 · 2924.19.8000

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2924.19.8000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses6-Acryloylaminohexanoic acid is widely used in food, health products, cosmetics and other fields.

Suppliers70 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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

湖北永阔科技有限公司027-59223108 15972152991 · [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]

Related reactions

5 records

New reaction record

HRID 644561As productuspto-grants-2010_04

HRID 2100240As productuspto-grants-2009_08

HRID 2147812As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2369727As productuspto-grants-2014_04

HRID 2380689As productuspto-grants-1994_11

Compound notes

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