(S)-(+)-2-Phenylglycine amide

HCID 729986

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6485-52-5
표준 SMILES: NC(=O)[C@@H](N)c1ccccc1
InChIKey: KIYRSYYOVDHSPG-ZETCQYMHSA-N
분자식: C8H10N2O
평균 분자량: 150.18 g/mol
단동위원소 질량: 150.07931295

이름 및 식별자

우선 이름: (S)-(+)-2-Phenylglycine amide
IUPAC: (2S)-2-amino-2-phenylacetamide
영어명: (S)-(+)-2-Phenylglycine amide
분자식: C8H10N2O
분자량: 150.18

이름 및 동의어

6485-52-5(S)-(+)-2-PHENYLGLYCINE AMIDERefChem:407613813-110-6(S)-2-amino-2-phenylacetamide(2S)-2-Amino-2-phenylethanamide(2s)-2-amino-2-phenylacetamideL-Phenylglycinamidel-phenylglycine amideMFCD03791027(2S)-2-Amino-2-phenyl-acetamideH-Phg-NH2 Hcl

이름 더 보기

PHG-NH2H-L-PHG-NH2 HCL(S)-PHENYLGLYCINAMIDEPHENYLGLYCINE-NH2 HCLH-PHG-NH2 HCL USP/EP/BP(S)-Aminophenylacetamide(S)-α-Aminobenzeneacetamide

(S)-2-amino-2-phenyl-acetamide(alphaS)-alpha-amino-benzeneacetamideCS-W021161AC-25880H-Phg-NH HClL-(+)-phenylglycine amideH-Phg-NH2(s)-phenylglycine amide

데이터베이스 식별자

CAS: 6485-52-5
PubChem CID: 729986
EC Number: 813-110-6
Nikkaji: J51.616C

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 69.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 131 · 131-132 °C
끓는 점: 322.8 · 322.8±35.0 °C(Predicted)
밀도: 1.178 · 1.178±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 에탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.61 · 15.61±0.50(Predicted)
색상: White tp Off-White
InChI: InChI=1/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/s3
InChIKey: KIYRSYYOVDHSPG-KPOCXSGKNA-N
SMILES: C1(=CC=CC=C1)[C@H](N)C(=O)N |&1:6,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Skin Sens. 1 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)

안전 데이터

HS 번호: 2906190090
risk_code: 43
hazard_code: Xi
safety_code: 36/37

화학 및 산업

응용 분야 · 1건

용도L-Phenylglycine Amide is a building block to synthesize selective pyrazolylpyrrole ERK inhibitors. It is also used to prepare fluorinated β-aminoacyl 1,2,4-triazolo[4,3-a]piperazine amides as dipeptidyl peptidase IV inhibitors and antidiabetic agents.