3-(メチルカルバモイル)プロパン酸

3-(Methylcarbamoyl)propanoic acid

HCID 292050

基本情報

CAS
56269-39-7
標準SMILES
CNC(=O)CCC(=O)O
InChIKey
RGWXLLFCRBVSBL-UHFFFAOYSA-N
分子式
C5H9NO3
平均分子量
131.13 g/mol
単同位体質量
131.05824315

名称と識別子

優先名称
3-(Methylcarbamoyl)propanoic acid
IUPAC
4-(methylamino)-4-oxobutanoic acid
現地名
3-(メチルカルバモイル)プロパン酸
英語名
N-Methylsuccinamic acid
分子式
C5H9NO3
分子量
131.13

名称と別名

3-(Methylcarbamoyl)propanoic acidRefChem:495533625-909-556269-39-7N-Methylsuccinamic acid4-(methylamino)-4-oxobutanoic acidMFCD000205313-(Methylcarbamoyl)-propionic acidsuccinic acid-N-methylimidesuccinic acid monomethylamideSCHEMBL93970SCHEMBL3625178
名称をさらに表示
3-(メチルカルバモイル)プロパン酸TIMTEC-BB SBB007999N-Methylbutyramide acidButanoic acid, 4-(methylamino)-4-oxo-
SCHEMBL5487716BDBM82194DTXSID60971702RGWXLLFCRBVSBL-UHFFFAOYSA-N3-(N-methylcarbamoyl)propanoic acidNSC157659SBB007999STL445168

データベース識別子

CAS
56269-39-7
PubChem CID
292050
DTXSID
DTXSID60971702
EC Number
625-909-5
Nikkaji
J1.187.741I

物性

構造計算による物性

XLogP
-1
極性表面積
66.4 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
3
重原子数
9

物理化学的性質

融点
107.7 · 107.7-108.2 °C
沸点
386.7 · 386.7±25.0 °C(Predicted)
比重(密度)
1.174 · 1.174±0.06 g/cm3(Predicted)
酸解離定数(Pka)
4.75 · 4.75±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (2 of 4) 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.;There are 2 notifications provided by 2 of 4 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

安全データ

hazard_class
IRRITANT

化学と産業

上流・下流製品情報

サプライヤー21 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]

関連反応

3 件

化合物ノート

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