포름아미드,N-(2-페닐에틸)-

Formamide, N-(2-phenylethyl)-

HCID 140995CAS 23069-99-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CNCCc1ccccc1
InChIKey: NOOOMJZHMKSKBF-UHFFFAOYSA-N
분자식: C9H11NO
평균 분자량: 149.19 g/mol
단동위원소 질량: 149.08406397

이름 및 식별자

우선 이름: Formamide, N-(2-phenylethyl)-
IUPAC: N-(2-phenylethyl)formamide
현지명: 포름아미드,N-(2-페닐에틸)-
영어명: Formamide, N-(2-phenylethyl)-
분자식: C9H11NO
분자량: 149.19

이름 및 동의어

23069-99-0Formamide, N-(2-phenylethyl)-N-Formylphenylethylamine2-Phenylethylformamide(2-Phenethyl)formamideNSC 18966Formamide, N-phenethyl-,N-(2-Phenethyl)formamideDTXSID70177637RefChem:141211DTXCID30100128NOOOMJZHMKSKBF-UHFFFAOYSA-N

이름 더 보기

포름아미드,N-(2-페닐에틸)-N-FormylphenethylamineN-benzenethylcarboxamideN-formyl-1-phenethylamineN-(β-Phenylethyl)formamide

N-phenethylformamideN-(2-Phenylethyl)formamideN-PHENETHYL-FORMAMIDE(2-Phenylethyl)formamidephenethylformamideMFCD00962346phenylethylformamideN-formyl-2-phenylethanamine

데이터베이스 식별자

CAS: 23069-99-0
PubChem CID: 140995
DTXSID: DTXSID70177637
EC Number: 663-749-8
Nikkaji: J28.433E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

Kovats Retention Index1487.2

물리화학적 성질

끓는 점: 180 · 180-181 °C(Press: 14 Torr)
밀도: 1.049 g/mL · 1.049 g/mL at 25 °C
굴절률: 20 · n20/D1.546
인화점: 110 ℃ · >110℃
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 16.04 · 16.04±0.23(Predicted)
물리적 상태: liquid
InChI: 1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
InChIKey: NOOOMJZHMKSKBF-UHFFFAOYSA-N
SMILES: O=CNCCc1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 2810
risk_code: 22-37/38-41-43
hazard_code: Xn
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Reactant for:Preparation of allenamides by alkylation with propargyl bromide and isomerizationUgi 3CC reaction

상·하류 제품 정보

상류 원료

하류 제품

(2-ISOCYANOETHYL)BENZENE 3,4-DIHYDROISOQUINOLINE

공급사23 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

焦作沃恩生物科技有限责任公司0391-3702345 18739121806

연결된 노트

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