Butyric acid, 4-piperidino-

HCID 20794
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Basic information

CAS
4672-16-6
Standard SMILES
O=C(O)CCCN1CCCCC1
InChIKey
BGAVZPPPWLEAKZ-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol
Monoisotopic mass
171.12592878

Names & identifiers

Preferred name
Butyric acid, 4-piperidino-
IUPAC
4-piperidin-1-ylbutanoic acid
English name
4-Piperidinobutyric acid
Molecular formula
C9H17NO2
Molecular weight
171.24

Names & synonyms

1-Piperidinebutanoic acid4-Piperidinebutyric acidgamma-Piperidinobutyric acidBUTYRIC ACID, 4-PIPERIDINO-DF 473BRN 0117549DTXSID101969285-20-03-00049 (Beilstein Handbook Reference)RefChem:331333DTXCID501194191-Piperidinebutanoic acid (9CI)4-(piperidin-1-yl)butanoic acid
Show more names
4-(1-Piperidinyl)butanoicaci4-piperidin-1-ylbutanoic acid(SALTDATA: HCl)
4672-16-64-piperidin-1-ylbutanoic acid4-Piperidinobutyric acid4-Piperidin-1-yl-butyric acid4-(1-piperidyl)butanoic acidMFCD01737374NSC15135NSC-15135

Database identifiers

CAS
4672-16-6
PubChem CID
20794
DTXSID
DTXSID10196928
ChEMBL
CHEMBL1401348
EC Number
111-232-8
Nikkaji
J42.920A

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Boiling point
306.9 · 306.9±25.0 °C(Predicted)
Density
1.052 · 1.052±0.06 g/cm3(Predicted)
pka
4.44 · 4.44±0.10(Predicted)
form
solid
InChI
1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)
InChIKey
BGAVZPPPWLEAKZ-UHFFFAOYSA-N

Safety & regulation

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

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2

Chemistry & industry

Suppliers8 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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