(S)-(-)-2-포름아미도스신산무수물

(S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamide

HCID 118093CAS 33605-73-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CNC1CC(=O)OC1=O
InChIKey: DFTMVZIUYVECNW-UHFFFAOYSA-N
분자식: C5H5NO4
평균 분자량: 143.1 g/mol
단동위원소 질량: 143.02185764

이름 및 식별자

우선 이름: (S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamide
IUPAC: N-(2,5-dioxooxolan-3-yl)formamide
현지명: (S)-(-)-2-포름아미도스신산무수물
영어명: (S)-(-)-2-Formamidosuccinic anhydride
분자식: C5H5NO4
분자량: 143.1

이름 및 동의어

EINECS 251-589-8(S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamideRefChem:408184251-589-8Aspartic anhydride, N-formyl-SCHEMBL2403213DTXSID90955237AKOS0062221112,5-Dioxotetrahydro-3-furanylformamide(2,5-Dioxooxolan-3-yl)methanimidic acid2,5-Dioxotetrahydro-3-furanylformamide #DB-068862

이름 더 보기

(S)-(-)-2-포름아미도스신산무수물(S)-N-(2,5-dioxotetrahydrofuran-3-yl)formamideN-Formylaspartic anhydrideN-Formyl-L-aspartic anhydride)-2-ForMaMidosuccinic anhydride(S)-(-)-2-Formamidosuccinic anhydrideN-[(3S)-2,5-dioxooxolan-3-yl]formamide(S)-(?)-2-Formamidosuccinic anhydrideFormamide,N-[(3S)-tetrahydro-2,5-dioxo-3-furanyl]-(S)-(-)-2-Formamidosuccinic anhydride technical grade, 90%

데이터베이스 식별자

CAS: 33605-73-1
PubChem CID: 118093
EC Number: 251-589-8

물성

구조 계산 물성

XLogP: -1
극성 표면적: 72.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 145 · 145-155 °C (dec.)(lit.)
InChI: 1S/C5H5NO4/c7-2-6-3-1-4(8)10-5(3)9/h2-3H,1H2,(H,6,7)/t3-/m0/s1
InChIKey: DFTMVZIUYVECNW-VKHMYHEASA-N
SMILES: O=CN[C@H]1CC(=O)OC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

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 39 reports by companies from 2 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.