Basic information
- CAS
76234-38-3- Standard SMILES
O=C(O)CCN1CCCC1- InChIKey
BRSKDXVJFXXUKX-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- 3-(1-Pyrrolidinyl)propanoic acid
- IUPAC
- 3-pyrrolidin-1-ylpropanoic acid
- English name
- 3-Pyrrolidin-1-yl-propionic acid HCl
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
3-(1-Pyrrolidinyl)propanoic acidRefChem:489638674-807-776234-38-33-(pyrrolidin-1-yl)propanoic acid3-pyrrolidin-1-ylpropanoic acid1-pyrrolidinepropanoic acid3-Pyrrolidin-1-yl-propionic acid3-Pyrrolidin-1-ylpropionic acidMFCD04114076beta-(1-Pyrrolidinyl)-Propionic Acid3-pyrrolidinylpropanoic acid
Show more names
CHEMBRDG-BB 4017740RARECHEM AL BO 03513-(1-PYRROLIDINYL)PROPIONIC ACIDβ-(1-Pyrrolidinyl)-Propionic Acid
Pyrrolidin-1-propionic acidBAS 07870488SCHEMBL812920AKOS BC-0367SCHEMBL1706554SCHEMBL2250579SCHEMBL182054223-(pyrrolidin-1-yl)propanoicacid
Database identifiers
- CAS
76234-38-3- PubChem CID
- 558407
- EC Number
- 674-807-7
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 162 · 162-172°C
- Boiling point
- 263.7 · 263.7±23.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.83 · 3.83±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- 1S/C7H13NO2.ClH/c9-7(10)3-6-8-4-1-2-5-8;/h1-6H2,(H,9,10);1H
- InChIKey
- HFYVCFSDZYRPRW-UHFFFAOYSA-N
- SMILES
- Cl.OC(=O)CCN1CCCC1
- CAS DataBase Reference
- 76234 · 76234-38-3(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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 2 reports by companies from 2 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
- wgk
- WGK 3
- risk_code
- 22-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3-Pyrrolidin-1-ylpropanoic Acid is used to prepare acylaminophenothiazines as neuroprotective agents.
Suppliers56 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
5 records
Compound notes
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