Basic information
- CAS
3601-66-9- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1ccccc1- InChIKey
HOBFSNNENNQQIU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid
- English name
- tert-Butoxycarbonylamino-phenyl-acetic acid
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.28
Names & synonyms
2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acidRefChem:447072851-452-83601-66-9Boc-DL-Phg-OHtert-Butoxycarbonylamino-phenyl-acetic acidN-Boc-DL-phenylglycine2-((tert-Butoxycarbonyl)amino)-2-phenylacetic acidBoc-L-Phenylglycine2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acidMFCD00971063
Show more names
BOC-PhgBoc-DL-PhgN-BOC-phenylglycineRARECHEM AK ML 0503BOC-DL-(PHENYL)GLY-OHN-Boc-DL-phenylglycine, >=98%(Tert-Butoxy)Carbonyl DL-Phg-OH
[(tert-Butoxycarbonyl)amino](phenyl)acetic acidBenzeneacetic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-Boc-L-alpha-phenylglycinebenzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-boc-dl-phenylglycineBoc-D-alpha-phenylglycineDL-Boc phenylglycineBoc-alpha-phenylglycine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 111 · 111-112℃
- Boiling point
- 407.2 · 407.2±38.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 3.51 · 3.51±0.10(Predicted)
- color
- White to off-white
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 3601 · 3601-66-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Applications
UsesBoc-DL-Phg-OH is a Glycine (HY-Y0966) derivative[1].
Upstream & downstream products
Upstream raw materials
Suppliers97 total
上海康恩博医药科技有限公司17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [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]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
山东隆玉达医药科技有限公司0534-2152677 17862520650 · [email protected]
Related reactions
21 records
Compound notes
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