3-[(TERT-ブチルトキシカルボニル)(メチル)アミノ]プロパン酸

3-(Methylamino)propanoic acid, N-BOC protected

HCID 2760952

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 124072-61-3
標準SMILES: CN(CCC(=O)O)C(=O)OC(C)(C)C
InChIKey: BBIFRGBXCKOUBW-UHFFFAOYSA-N
分子式: C9H17NO4
平均分子量: 203.24 g/mol
単同位体質量: 203.11575802

名称と識別子

優先名称: 3-(Methylamino)propanoic acid, N-BOC protected
IUPAC: 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
現地名: 3-[(TERT-ブチルトキシカルボニル)(メチル)アミノ]プロパン酸
英語名: 3-(Methylamino)propanoic acid, N-BOC protected
分子式: C9H17NO4
分子量: 203.24

名称と別名

3-(methylamino)propanoic acid, n-boc protectedRefChem:495523696-567-2124072-61-33-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOIC ACIDN-Boc-3-(Methylamino)propanoic acid3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acidMFCD034905083-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic Acid3-{[(Tert-Butoxy)Carbonyl](Methyl)Amino}Propanoic Acidn-(tert-butoxycarbonyl)-n-methyl-beta-alaninebeta-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

名称をさらに表示

3-[(TERT-ブチルトキシカルボニル)(メチル)アミノ]プロパン酸N-BOC-3-(メチルアミノ)プロピオン酸N-Boc-N-Methyl-b-alanineBoc-N-Me-β-AlaBoc-N-Me-β-Ala-OHBoc-N-Me-Beta-AlaN-Boc-N-methyl-β-alanineBoc-N-Methyl-beta-alanine3-(MethylaMino)propanoic aci3-[(Boc)(methyl)amino]propionic Acid3-(MethylaMino)propanoic acid, N-BOC

3-(tert-butoxycarbonyl(methyl)amino)propanoic acid3-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PROPANOICACID3-[tert-butoxycarbonyl(methyl)amino]propanoic acidboc-beta-meala-oh3-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOICACIDBoc-MessAla-OHBoc-N-methyl-b-alanineBoc-|A-N-Me-Ala-OH

データベース識別子

CAS: 124072-61-3
PubChem CID: 2760952
DTXSID: DTXSID70375434
EC Number: 696-567-2
Nikkaji: J735.713C

物性

構造計算による物性

XLogP: 0.6
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 59 · 59-62
沸点: 307.4 · 307.4±21.0 °C(Predicted)
比重(密度): 1.113 · 1.113±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 4.46 · 4.46±0.10(Predicted)
色: Pale yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.