Basic information
- CAS
193693-64-0- Standard SMILES
O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1- InChIKey
QDEJCUHGSHSYQH-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.11575802
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-Fmoc-azetidine-3-carboxylic acid
- IUPAC
- 1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-3-carboxylic acid
- English name
- Fmoc-L-Azetidine-3-carboxylic acid
- Molecular formula
- C19H17NO4
- Molecular weight
- 323.34
Names & synonyms
193693-64-01-Fmoc-azetidine-3-carboxylic acidFmoc-Azetidine-3-carboxylic acidFmoc-L-Azetidine-3-carboxylic acid1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-3-carboxylic Acid1-(((9H-fluoren-9-yl)methoxy)carbonyl)azetidine-3-carboxylic acidMFCD013210181-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AZETIDINE-3-CARBOXYLIC ACID1-[(9H-fluoren-9-ylmethoxy)carbonyl]azetidine-3-carboxylic acidZB0879Z1217191433QDEJCUHGSHSYQH-UHFFFAOYSA-N
Show more names
RARECHEM BK PT 0279FMOC-3-AZETIDINE CARBOXYLIC ACIDN-FMOC-3-AZETIDINE CARBOXYLIC ACID1-Fmoc-3-Azetidinecarboxylic acid1-N-Fmoc-3-azetidinecarboxylic acid1-Fmoc-azetidine-3-carboxylicacid,95%
Fmoc-Aze(3)-OHSCHEMBL119453DTXSID60373262ALBB-037979SBB067463AKOS015837429CS-W011993DS-0717
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 540 · 540-545℃
- Density
- 1.368 · 1.368
- Flash point
- 282 ° · 282°(540°F)
- storage temp.
- 2 · 2-8°C
- pka
- 4.16 · 4.16±0.20(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Major Application
- peptide synthesis
- InChI
- 1S/C19H17NO4/c21-18(22)12-9-20(10-12)19(23)24-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,22)
- InChIKey
- QDEJCUHGSHSYQH-UHFFFAOYSA-N
- SMILES
- OC(=O)C1CN(C1)C(=O)OCC2c3ccccc3-c4ccccc24
- CAS DataBase Reference
- 193693 · 193693-64-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 26 · NA.26
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37-60
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Related reactions
3 records
Compound notes
Loading…