Basic information
- CAS
21012-18-0- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)O- InChIKey
JPGQESMEFISORC-QMMMGPOBSA-N- Molecular formula
- C11H17N3O4
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.12190603
Names & identifiers
- Preferred name
- L-N-Boc-3-Pyrazol-1-yl-alanine
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acid
- English name
- Boc-3-(1-pyrazolyl)-Ala-OH
- Molecular formula
- C11H17N3O4
- Molecular weight
- 255.27
Names & synonyms
l-n-boc-3-pyrazol-1-yl-alanineRefChem:797236675-930-921012-18-0(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoic acidMFCD07369855N-Boc-3-(1-pyrazolyl)-L-alanineBoc-3-(1-pyrazolyl)-Ala-OHN-Boc-3-(Pyrazol-1-yl)-L-alanine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acidN-(tert-butoxycarbonyl)-3-(1H-pyrazol-1-yl)-L-alanine(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-1-yl)propanoic acid
Show more names
Boc-3-(1-Pyrazolyl)-L-alanineBoc-3-(Pyrazol-1-yl)-L-Ala-OHNα-Boc-3-(1-pyrazolyl)-L-alanineN-α-t-Butoxycarbonyl-β-(1-pyrazolyl)-L-alanineBOC-3-(1-PYRAZOLYL)-L-ALANINE(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(pyrazol-1-yl)propionic acid(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(1H-PYRAZOL-1-YL)PROPANOIC ACID
1H-Pyrazole-1-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-Boc-Ala(1-Pyz)-OHN-(tert-butoxycarbonyl)-3-pyrazol-1-yl-L-alanineMFCD10565753N-Boc-3-(Pyrazol-1-yl)-DL-alanineBoc-Ala(pyrazol-1-yl)-OH(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoicacidSCHEMBL10246509
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 441.9 · 441.9±40.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.51 · 3.51±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
苏州君叶生物医药科技有限公司0512-0512-53662086-8001 18913766772 · [email protected]
AN PharmaTech Co Ltd
Related reactions
1 records
Compound notes
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