(((Phenylmethoxy)carbonyl)amino)phenylacetic acid

HCID 98996
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Basic information

CAS
60584-76-1
Standard SMILES
O=C(NC(C(=O)O)c1ccccc1)OCc1ccccc1
InChIKey
RLDJWBVOZVJJOS-UHFFFAOYSA-N
Molecular formula
C16H15NO4
Average molar mass
285.29 g/mol
Monoisotopic mass
285.10010796

Names & identifiers

Preferred name
(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
IUPAC
2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
English name
[[(phenylmethoxy)carbonyl]amino]phenylacetic acid
Molecular formula
C16H15NO4
Molecular weight
285.3

Names & synonyms

60584-76-1[[(phenylmethoxy)carbonyl]amino]phenylacetic acidN-(Benzyloxycarbonyl)-DL-phenylglycineEINECS 262-312-5(((Phenylmethoxy)carbonyl)amino)phenylacetic acidDTXSID801284704NSC 163115RefChem:389429DTXCID90893680262-312-5{[(benzyloxy)carbonyl]amino}(phenyl)acetic acid2-(((Benzyloxy)carbonyl)amino)-2-phenylacetic acid
Show more names
N-(Benzyloxycarbonyl)-2-phenylglycineDL-N-Benzyloxycarbonyl-2-phenylglycineα-[(Benzyloxycarbonyl)amino]benzeneacetic acidα-[[(Phenylmethoxy)carbonyl]amino]benzeneacetic acidBenzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-
CBZ-DL-PhenylglycineZ-D-phenylglycine2-phenyl-2-(phenylmethoxycarbonylamino)acetic acidMFCD000649772-{[(benzyloxy)carbonyl]amino}-2-phenylacetic acidBenzeneacetic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-2-([(Benzyloxy)carbonyl]amino)-2-phenylacetic acidCbz-Phg-OH

Database identifiers

CAS
60584-76-1
PubChem CID
98996
DTXSID
DTXSID801284704
EC Number
262-312-5
Nikkaji
J268.230C

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21

Physicochemical properties

Melting point
132 · 132-133 °C
Boiling point
495.3 · 495.3±45.0 °C(Predicted)
Density
1.275 · 1.275±0.06 g/cm3(Predicted)
pka
3.49 · 3.49±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers5 total

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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