CAS 99636-32-5 2-Propanamine, 1-methoxy-, (2S)- (HCID 7021536)

基本情報

CAS: 99636-32-5
標準SMILES: COC[C@H](C)N
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-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-Propanamine, 1-methoxy-, (2S)-
IUPAC: (2S)-1-methoxypropan-2-amine
現地名: (S)-(+)-1-メトキシ-2-プロピルアミン
英語名: (S)-(+)-1-METHOXY-2-PROPYLAMINE
分子式: C4H11NO
分子量: 89.14

名称と別名

99636-32-5(S)-(+)-1-METHOXY-2-PROPYLAMINE2-Propanamine, 1-methoxy-, (2S)-DTXSID9072997RefChem:478318(-)-2-Amino-1-methoxypropaneDTXCID7049136700-220-3(2S)-1-methoxypropan-2-amine(S)-1-METHOXY-2-PROPYLAMINE(S)-1-methoxy-2-aminopropaneMFCD01075730

名称をさらに表示

(S)-(+)-1-メトキシ-2-プロピルアミン, produced by BASF, 99%1-Methoxy-2-Propylamine (SMPA)

(S)-1-Methoxypropan-2-amine(2S)-1-Methoxy-2-propanamine(S)-1methoxy-2-aminopropane(1S)-2-Methoxy-1-methylethylamine(2~{S})-1-methoxypropan-2-amine(S)-(+)-1-Methoxy-2-propylamine, AldrichCPRF8881-8942(S)-2-Amino-1-methoxypropane

データベース識別子

CAS: 99636-32-5
PubChem CID: 7021536
DTXSID: DTXSID9072997
EC Number: 700-220-3
Nikkaji: J1.183.005F

物性

構造計算による物性

XLogP: -0.4
極性表面積: 35.3 Å²
水素結合供与体数: 1
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: -95 °C · -95°C
沸点: 92 · 92-94°C 68mm
比重(密度): 0 · 0,844 g/cm3
屈折率: 1.4044 · 1.4044
闪点: 9 °C · 9°C
貯蔵温度: 2 · 2-8°C, protect from light
外見: liquid
酸解離定数(Pka): 8.84 · 8.84±0.10(Predicted)
水溶解度: 水に完全に混和します。
BRN: 5725728 · 5725728
InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N
SMILES: C(OC)[C@@H](N)C
CAS データベース: 99636 · 99636-32-5
EPAの化学物質情報: 2 · 2-Propanamine, 1-methoxy-, (2S)- (99636-32-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

2-Propanamine, 1-methoxy-, (2S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 1-methoxy-, (2S)- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/18343

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2734
risk_code: 11-22-35-52/53-37-34
hazard_code: F,C
safety_code: 16-23-26-36/37/39-45-61
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1ASTOT SE 3

化学と産業

用途と製造

U.S. Production2023: 5,000,000 - <10,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2-Propanamine, 1-methoxy-, (2S)-: ACTIVE

応用分野

使用(S)-(+)-1-Methoxy-2-propylamine is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

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化合物ノート

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