Basic information
- CAS
5330-71-2- Standard SMILES
O=C(Nc1ccc(C(=O)O)cc1)OCc1ccccc1- InChIKey
XRKLFEVNZWRMCT-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- 4-(((Benzyloxy)carbonyl)amino)benzoic acid
- IUPAC
- 4-(phenylmethoxycarbonylamino)benzoic acid
- English name
- 4-(phenylmethoxycarbonylamino)benzoic acid
- Molecular formula
- C15H13NO4
- Molecular weight
- 271.27
Names & synonyms
5330-71-24-(((Benzyloxy)carbonyl)amino)benzoic acid4-(benzyloxycarbonylamino)benzoic acid4-{[(benzyloxy)carbonyl]amino}benzoic acid4-(Cbz-amino)benzoic acid4-(phenylmethoxycarbonylamino)benzoic acidMFCD00610465Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)Cbz-4-ABCbz-OHZ-(4)Abz-OHNSC2514Z-4-ABZ-OH
Show more names
4-(Carbobenzoxyamino)benzoic acidBenzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]-
Oprea1_655434SCHEMBL3694153DTXSID70277484XRKLFEVNZWRMCT-UHFFFAOYSA-NN-Carbobenzoxy-p-aminobenzoic acidNSC-2514AB8233AKOS000169125
Database identifiers
- CAS
5330-71-2- PubChem CID
- 220171
- DTXSID
DTXSID70277484- Nikkaji
- J1.349.544K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 217 °C · 217 °C (decomp)
- Boiling point
- 425.1 · 425.1±38.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.32 · 4.32±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C15H13NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,19)(H,17,18)
- InChIKey
- XRKLFEVNZWRMCT-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(NC(OCC2=CC=CC=C2)=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
山东普创医药科技有限公司18953403321 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
GL Biochem(Binhai) Ltd.+86-021-61263370 15301650015 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
7 records
Compound notes
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