CAS 1007596-95-3 rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate (HCID 10727458)

基本情報

CAS: 1007596-95-3
標準SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](O)C1
InChIKey: KREUZCYJWPQPJX-HTQZYQBOSA-N
分子式: C10H20N2O3
平均分子量: 216.28 g/mol
単同位体質量: 216.1473925

名称と識別子

優先名称: rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
英語名: (3R,4R)-4-aMino-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
分子式: C10H20N2O3
分子量: 216.28

名称と別名

tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylaterac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylateRefChem:8748421,1-Dimethylethyl (3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate850-589-0882-763-7443955-98-41007596-95-3TRANS-4-AMINO-1-BOC-3-HYDROXYPIPERIDINE(3R,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate(3r,4r)-rel-tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylateMFCD18072074

名称をさらに表示

CPD3650(3R,4R)-4-Amino-1-Boc-piperidin-3-ol(3R,4R)-1-Boc-4-amino-3-hydroxy-piperidinet-Butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylatetert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate-1tert-butyl rel-(3r,4r)-4-amino-3-hydroxypiperidine-1-carboxylate

MFCD184256321-Piperidinecarboxylic acid, 4-amino-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-(3R,4R)-4-Amino-1-boc-3-hydroxypiperidineTert-butyl trans-4-amino-3-hydroxy-piperidine-1-carboxylateTert-butyl (3R,4R)-4-amino-3-hydroxy-piperidine-1-carboxylatetert-butyl (3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate(3R,4R)-4-amino-3-hydroxy-piperidine-1-carboxylic acid tert-butyl estertert-butyl (trans-4-amino-3-hydroxypiperidine-1-carboxylate

物性

構造計算による物性

XLogP: -0.2
極性表面積: 75.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 237

物理化学的性質

沸点: 326.1 · 326.1±42.0 °C(Predicted)
比重(密度): 1.142 · 1.142±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 14.37 · 14.37±0.40(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
InChIKey: KREUZCYJWPQPJX-HTQZYQBOSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@@H](N)[C@H](O)C1