CAS 53249-34-6 N-Boc-4-Hydroxyphenyl-DL-glycine (HCID 4189925)

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Basic information

CAS: 53249-34-6
Standard SMILES: CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(O)cc1
InChIKey: LRWJRIFKJPPAPM-UHFFFAOYSA-N
Molecular formula: C13H17NO5
Average molar mass: 267.28 g/mol
Monoisotopic mass: 267.11067264

Names & identifiers

Preferred name: N-Boc-4-Hydroxyphenyl-DL-glycine
IUPAC: 2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
English name: N-Boc-4-Hydroxyphenyl-DL-glycine
Molecular formula: C13H17NO5
Molecular weight: 267.28

Names & synonyms

53249-34-6N-Boc-4-Hydroxyphenyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetic acidtert-butoxycarbonylamino-(4-hydroxy-phenyl)-acetic acid2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04038494Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-[(TERT-BUTOXYCARBONYL)AMINO](4-HYDROXYPHENYL)ACETIC ACID2-{[(tert-butoxy)carbonyl]amino}-2-(4-hydroxyphenyl)acetic acidBoc-2-amino-2-(4-hydroxyphenyl)acetic acidBoc-D-Phg(4-OH)-OHEN300-1071280

Show more names

Boc-DL-Phg(4-OH)Boc-D,L-Phg(4-OH)-OHBOC-D-4-HydroxyphenylglycineBoc-d-p-hydroxyphenylglycineBoc-4-Hydroxyphenyl-DL-GlycineN-Boc-RS-4-HydroxyphenylglycineN-Boc-4-Hydroxyphenyl-DL-glycine USP/EP/BP

tert-butoxycarbonylamino(4-hydroxyphenyl)acetic acid2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acidBoc-DL-4-OH-Phg-OH2-(boc-amino)-2-(4'-hydroxyphenyl)acetic acidSCHEMBL191987tert-butoxycarbonylamino-(4-hydroxyphenyl)acetic acidDTXSID60400562LRWJRIFKJPPAPM-UHFFFAOYSA-N

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 328

Physicochemical properties

Boiling point: 463.1 · 463.1±40.0 °C(Predicted)
Density: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.71 · 3.71±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.