CAS 5856-63-3 2-Amino-1-butanol, (-)- (HCID 2723856)

基本情報

CAS: 5856-63-3
標準SMILES: CC[C@@H](N)CO
InChIKey: JCBPETKZIGVZRE-SCSAIBSYSA-N
分子式: C4H11NO
平均分子量: 89.14 g/mol
単同位体質量: 89.08406397

名称と識別子

優先名称: 2-Amino-1-butanol, (-)-
IUPAC: (2R)-2-aminobutan-1-ol
現地名: (R)-(-)-2-アミノ-1-ブタノール
英語名: (R)-(-)-2-Amino-1-butanol
分子式: C4H11NO
分子量: 89.14

名称と別名

5856-63-3(R)-(-)-2-Amino-1-butanol(R)-2-Aminobutan-1-ol(2R)-2-aminobutan-1-ol(R)-2-Amino-1-butanol1-Butanol, 2-amino-, (2R)-2-Amino-1-butanol, (-)-2-Amino-1-butanol, (R)-DTXSID90292754F725V55LNEINECS 227-476-4(R)-2-AMINOBUTANOL

名称をさらに表示

(R)-(-)-2-アミノ-1-ブタノール(R)-2-アミノブタン-1-オール(2R)-2-アミノブタン-1-オール(2R)-2-アミノ-1-ブタノール[R,(-)]-2-アミノ-1-ブタノール(R)-2-アミノ-1-ブタノール(R)-(-)-2-アミノ-1-ブタノルL(-)-2-アミノ-1-ブタノール(R)‐(-)‐2‐アミノ‐1‐ブタノール(R)-(-)-2-アミノブタン-1-オール(R)-(-)-2-アミノ-1-ブタノール, 98%2-AminobutanolL-2-AMINO-1-BUTANOLtube1180(theta)-1-butano(+)2-Aminobutanol( theta)-1-butanolL-2-Aminobutanol99.1%(R)(-)-2-AMINOBUTANOL

DTXCID4092751-Butanol, 2-amino-, (theta)-D-(-)-2-AMINO-1-BUTANOL[R]-(-)-2-amino-1-butanolRefChem:463254227-476-4687-225-3MFCD00064419

データベース識別子

CAS: 5856-63-3
PubChem CID: 2723856
DTXSID: DTXSID9029275
ChEMBL: CHEMBL3184640
UNII: 4F725V55LN
EC Number: 227-476-4、687-225-3
Nikkaji: J9.126J

物性

構造計算による物性

XLogP: -0.4
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 30.7

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: -2 °C · -2 °C
沸点: 172 · 172-174 °C(lit.)
比旋光度: -10 ° · -10°(19℃, neat)
比重(密度): 0.943 g/mL · 0.943 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.452
闪点: 180 °F · 180 °F
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
水溶解度: Soluble in water
溶解性: Chloroform (Sparingly), Methanol (Slightly)
酸解離定数(Pka): 12.88 · 12.88±0.10(Predicted)
外見: 粉末、結晶および/またはチャンク
比重: 0.947 · 0.947
色: ホワイトからオフホワイト
PH: 11.1 · 11.1 (8.9g/l, H2O, 20℃)
BRN: 1718929 · 1718929
InChI: 1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
InChIKey

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (94.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

1-Butanol, 2-amino-, (2R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2-amino-, (2R)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21086

(R )-(-)-2-Amino-1-butanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Acute Tox. 4 (94.5%)

Acute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29221990
risk_code: 34-37-22
化審法: (2)-316
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive
safety_code

化学と産業

用途と製造

U.S. Production2023: 44,167 lb

Consumer UsesAbsorbent

Industry UsesAbsorbent

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1-Butanol, 2-amino-, (2R)-: ACTIVE

応用分野

用途有機合成原料。

調製方法 · 1 件

純化方法They are purified by shaking with solid NaOH, filtering and distilling through a short column. The oxalate of the racemate has m 176o. They are strong bases and should be stored under N2 in the absence of CO2. The enantiomers have [] 20 ±12.5o (c 2, EtOH). [Johnson & Degering J Org Chem 8 7 1943, Nagao et al. J Org Chem 51 2392 1986, Santaniello et al. J Chem Soc, Perkin Trans 1 919 1985, Beilstein 4 H 291, 4 IV 1705.]